/usr/share/viewmol/examples/turbomole/control is in viewmol 2.4.1-24+b1.
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2222 2223 2224 2225 2226 2227 2228 2229 2230 2231 2232 2233 2234 2235 2236 2237 2238 2239 2240 2241 2242 2243 2244 2245 2246 2247 2248 2249 2250 2251 2252 2253 2254 2255 2256 2257 2258 2259 2260 2261 2262 2263 2264 2265 2266 2267 2268 2269 2270 2271 2272 2273 2274 2275 2276 2277 2278 2279 2280 2281 2282 2283 2284 2285 2286 2287 2288 2289 2290 2291 2292 2293 2294 2295 2296 2297 2298 2299 2300 2301 2302 2303 2304 2305 2306 2307 2308 2309 2310 2311 2312 | $title
alpha-Glucose
$operating system unix
$symmetry c1
$redundant file=coord
$coord file=coord
$user-defined bonds file=coord
$atoms
c 1-3,10,13,15 \
basis =c 3-21g hondo
o 4,7,9,11,16,19 \
basis =o 3-21g hondo
h 5-6,8,12,14,17-18,20-24 \
basis =h 3-21g hondo
$pople AO
$basis file=basis
$rundimensions
dim(fock,dens)=8850
natoms=24
nshell=84
nbf(CAO)=132
nbf(AO)=132
dim(trafo[SAO<-->AO/CAO])=132
rhfshells=1
$scfmo file=mos
$closed shells
a 1-48 ( 2 )
$scfiterlimit 30
$scfconv 7
$thize 0.10000000E-04
$thime 5
$scfdamp start=0.500 step=0.050 min=0.100
$scfdump
$scfintunit
unit=30 size=0 file=twoint
$scfdiis start=0.5
$drvopt
cartesian on
basis off
global off
hessian on
dipole on
nuclear polarizability
$interconversion off
qconv=1.d-7
maxiter=25
$optimize
internal on
redundant on
cartesian off
global off
basis off logarithm
$coordinateupdate
dqmax=0.3
interpolate on
statistics 5
$forceupdate
ahlrichs numgeo=33 mingeo=3 maxgeo=4 modus=<g|dq> dynamic fail=0.3
threig=0.005 reseig=0.005 thrbig=3.0 scale=1.00 damping=0.0
$forceinit off
diag=default
$energy file=energy
$grad file=gradient
$forceapprox file=forceapprox
$lock off
$last step force
$last SCF energy change = -.83479165E-06
$maximum norm of cartesian gradient = 0.49949058E-03
$maximum norm of internal gradient = 0.34517127E-03
$orbital_max_rnorm 0.17669727373131E-04
$maxcor 500
$dipole
x 0.60010931560956 y -0.05375798215498 z -0.03181229927210
| dipole | = 1.5335783488 debye
$hessian (projected)
1 1 0.6660519054 0.0487146916 0.1143620592 -0.1899652754 0.0286919833
1 2 0.0095706798 -0.0425841461 0.0182574601 0.0105777036 0.0051840965
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1 4 0.0021458027 0.0001192634 0.0000261855 -0.0014903153 -0.0039818623
1 5 -0.0040326430 -0.2468213051 -0.0461735340 -0.1311193706 -0.0911157123
1 6 -0.0068209575 0.0311077547 -0.0029079084 -0.0053540910 -0.0011365525
1 7 0.0017383480 0.0025600286 0.0009483856 -0.0001352664 -0.0000357598
1 8 0.0004318131 -0.0080287817 -0.0379682446 -0.0001355477 0.0019817182
1 9 0.0014394176 0.0008762002 -0.0041655234 -0.0021078900 -0.0037582734
1 10 -0.0948963544 0.0105761891 -0.0201088442 0.0000948999 0.0001977069
1 11 -0.0000414604 0.0005714523 -0.0012428317 0.0001559640 -0.0002263318
1 12 0.0017519813 0.0000165358 0.0003214448 -0.0011918806 0.0009916110
1 13 0.0000612789 -0.0038678011 0.0010420781 -0.0010680032 0.0008901596
1 14 0.0006754328 0.0002018487 -0.0001290599 0.0001169123 0.0064919856
1 15 0.0017782393 -0.0098148495
2 1 0.0487146916 0.5869144960 0.0296679787 0.0254889925 -0.0797605823
2 2 -0.0168695417 -0.0099548888 0.0138814928 0.0094708261 0.0377014405
2 3 -0.0356089394 -0.0053413594 -0.0079167549 0.0033903064 0.0036111940
2 4 0.0014771286 -0.0001048460 0.0003712769 -0.0077540543 -0.0049675912
2 5 -0.0032573572 -0.0547181164 -0.0735435403 -0.0439531388 0.0075903872
2 6 -0.1089910015 -0.0027151791 -0.0049855884 0.0070585901 0.0060408377
2 7 0.0069919737 -0.0026848714 -0.0003861054 -0.0003256940 -0.0004717379
2 8 -0.0002009077 -0.0212596047 -0.0393666280 -0.0109261188 0.0052132210
2 9 0.0044798446 0.0038794372 0.0008649532 -0.0002076641 0.0011237239
2 10 -0.0175530804 -0.2471634418 -0.0266042548 -0.0000902262 -0.0002034299
2 11 -0.0000203663 0.0007339231 0.0016140098 -0.0000931927 0.0005823904
2 12 0.0030667453 -0.0022326951 0.0003547850 -0.0030599550 0.0026135153
2 13 -0.0024378717 -0.0076916732 0.0018488881 -0.0018788129 0.0020767923
2 14 -0.0001757057 -0.0009748683 -0.0003419701 0.0002327954 -0.0058643260
2 15 -0.0183144053 0.0539154494
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3 5 -0.0045391308 -0.1326942488 -0.0406599410 -0.1565424912 0.0205327261
3 6 0.0557258705 -0.2481285674 0.0019849343 0.0010327229 0.0002787361
3 7 -0.0003620604 0.0001002740 -0.0011049123 0.0006826594 0.0004138083
3 8 -0.0004699073 -0.0021623233 -0.0295418414 0.0072279375 -0.0013187398
3 9 -0.0021867370 -0.0038705233 -0.0050606722 -0.0030703183 -0.0046988692
3 10 -0.0212993907 0.0089915595 -0.0888524377 0.0001564964 0.0002298849
3 11 -0.0000346293 0.0001554828 -0.0016933235 0.0004924876 0.0006404718
3 12 0.0012992553 -0.0009723283 0.0000709503 0.0000282496 0.0013402353
3 13 0.0004828224 0.0029167617 -0.0009086222 -0.0017007865 0.0005468772
3 14 0.0007533702 0.0001503017 0.0000589817 0.0000860619 -0.0018380829
3 15 0.0013581124 -0.0124250463
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4 2 -0.0332522310 -0.1398826782 -0.0162703032 -0.0453707477 -0.1053334407
4 3 -0.0373524810 0.0155715352 -0.0735551243 -0.0029786602 0.0420052333
4 4 0.0020506318 -0.0007453294 -0.0001569682 -0.0511113023 -0.0130360895
4 5 -0.0202165091 -0.0270001332 0.0145852172 0.0126989124 -0.0062254131
4 6 0.0019059376 0.0108578192 0.0019881540 -0.0075151490 0.0016861454
4 7 0.0024451852 0.0045714632 0.0001971015 0.0001600814 0.0005320883
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4 9 -0.0002116204 -0.0004481712 -0.0009046277 0.0000440348 -0.0002674442
4 10 0.0066803094 -0.0098294120 -0.0064677423 -0.0001082913 0.0003638567
4 11 -0.0000249098 -0.0000617467 -0.0005236431 0.0000735639 -0.0004276159
4 12 0.0001341814 0.0000009636 0.0001890460 0.0004237689 -0.0003666880
4 13 0.0051528956 0.0474923993 -0.0091908375 -0.0059138466 0.0048865148
4 14 0.0027581354 0.0007668968 0.0008001857 0.0004348943 -0.0006736192
4 15 -0.0004944736 0.0027936459
5 1 0.0286919833 -0.0797605823 -0.0257003746 -0.0134051748 0.5692011462
5 2 -0.0254958253 -0.0358132832 -0.0993144477 -0.0283206855 0.0216238677
5 3 -0.2410855863 0.0295659519 -0.0038947055 -0.0650186207 0.0403456091
5 4 0.0078291824 0.0034773778 0.0075544887 0.0206484583 0.0021188641
5 5 0.0085760213 -0.0107391271 0.0074067696 0.0022316557 -0.0074752631
5 6 0.0000354371 0.0120590604 -0.0335574939 -0.0170050300 -0.0237025482
5 7 -0.0000103073 -0.0067988480 0.0016391691 -0.0002519005 0.0006948580
5 8 0.0003970111 0.0052792338 0.0005487197 -0.0011738284 -0.0004808561
5 9 -0.0002713754 -0.0002150516 -0.0005702172 -0.0003579976 0.0000052887
5 10 0.0320146355 -0.0438551616 -0.0085938290 -0.0002125819 0.0004846992
5 11 0.0000147662 -0.0000343938 0.0000421950 0.0001244676 -0.0002370010
5 12 0.0005942608 0.0000568420 0.0004165433 -0.0002460587 -0.0001720887
5 13 -0.0087216244 -0.0303511123 0.0090928460 0.0041448433 -0.0027656818
5 14 -0.0010956308 -0.0008704248 -0.0005727366 -0.0015836901 -0.0043743932
5 15 0.0027989116 0.0043903744
6 1 0.0095706798 -0.0168695417 -0.0988848907 -0.0332522310 -0.0254958253
6 2 0.7027313251 -0.0563634074 -0.0228843605 -0.1434095039 0.0082815945
6 3 0.0364243367 -0.0822625362 0.0424024419 0.0386941255 -0.3375559407
6 4 -0.0321543011 -0.0170105136 -0.0226999250 0.0181525155 0.0062763232
6 5 0.0081803727 -0.0209625032 0.0092704481 0.0100819870 0.0421087801
6 6 -0.0087305756 -0.0423370691 0.0056031421 -0.0015193677 0.0025178136
6 7 0.0019809615 0.0028454629 0.0009593628 0.0009458079 0.0020127640
6 8 -0.0002023781 -0.0003116548 -0.0016907848 -0.0029718879 0.0002802927
6 9 -0.0000531122 0.0000849699 0.0000386806 -0.0003391993 0.0005841103
6 10 0.0018069296 0.0066768889 0.0029235104 -0.0000358322 0.0000890186
6 11 -0.0001118665 0.0000685242 0.0001309518 -0.0001060767 0.0000048176
6 12 0.0002764274 -0.0007249483 -0.0002272631 0.0000196753 0.0005914405
6 13 0.0013793438 -0.0062511805 0.0034682762 0.0048807372 -0.0015815599
6 14 -0.0007869831 0.0003797023 0.0005296913 0.0009236591 0.0054222414
6 15 -0.0008200925 -0.0009928216
7 1 -0.0425841461 -0.0099548888 -0.0180986483 -0.1398826782 -0.0358132832
7 2 -0.0563634074 0.5975713730 0.0071471228 0.0004370073 -0.0024905425
7 3 -0.0006089421 -0.0002061608 0.0029251561 0.0015298269 0.0043337313
7 4 -0.0622820035 -0.0090837255 0.0243401293 -0.2076212402 0.0253661387
7 5 0.0242027216 -0.0015725541 0.0013149430 0.0017733933 0.0027134860
7 6 0.0009381526 -0.0028231269 -0.0811603688 0.0063186044 0.0017396807
7 7 -0.0208532001 -0.0435423991 -0.0006309184 -0.0004555557 -0.0079554915
7 8 0.0013086479 -0.0020878119 0.0470808132 0.0011911470 0.0003637163
7 9 0.0000976880 -0.0003911410 -0.0070387293 0.0009859428 0.0031946529
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70 9 0.0000047849 0.0000470486 -0.0001093507 -0.0000765395 -0.0000956768
70 10 -0.0031806899 -0.0051429903 0.0042545944 -0.0000665273 0.0001451519
70 11 0.0000013857 -0.0000090480 -0.0001346994 0.0000181597 -0.0002786090
70 12 0.0001472661 -0.0000010556 0.0001493273 0.0000302745 -0.0001040993
70 13 -0.0003942586 0.0009211579 0.0002810017 -0.0001959780 -0.0001819531
70 14 0.0001435024 0.0000325624 -0.0000076609 -0.0000338426 0.0377172819
70 15 -0.1083397533 0.0014146019
71 1 0.0017782393 -0.0183144053 0.0013581124 -0.0004944736 0.0027989116
71 2 -0.0008200925 -0.0008568720 -0.0006736267 0.0009111996 0.0019209919
71 3 -0.0036215422 -0.0012504050 0.0004738025 -0.0009933956 -0.0001993742
71 4 -0.0010123180 0.0000050087 -0.0005293307 0.0009432355 -0.0002808202
71 5 -0.0002993323 0.0000284288 0.0004894180 -0.0013506922 0.1041303753
71 6 -0.4837672037 0.0617858805 -0.0003494371 -0.0002349565 -0.0001970400
71 7 0.0002742736 0.0001286535 0.0000591785 0.0000310379 0.0000823565
71 8 -0.0000243886 0.0000103789 0.0001609237 0.0004603112 0.0001618960
71 9 -0.0000069049 -0.0000363974 0.0001483801 -0.0001404663 0.0000915778
71 10 0.0011403096 0.0025825380 0.0008523931 -0.0000286656 0.0000250982
71 11 -0.0000039850 0.0000220069 0.0000484437 -0.0000119911 -0.0000651686
71 12 0.0001907649 -0.0001194983 0.0000358673 -0.0001199721 0.0000577629
71 13 0.0001659234 -0.0001846219 -0.0004754831 -0.0000517815 -0.0000142851
71 14 0.0000035693 -0.0000666773 -0.0000138140 -0.0000196987 -0.1083397533
71 15 0.5018538976 -0.0602422760
72 1 -0.0098148495 0.0539154494 -0.0124250463 0.0027936459 0.0043903744
72 2 -0.0009928216 0.0003702852 -0.0003225926 0.0014527533 -0.0023882434
72 3 0.0010865892 -0.0005177542 -0.0008778765 -0.0004108446 0.0002909786
72 4 -0.0002976338 -0.0000664996 0.0000269503 -0.0005039093 -0.0003647756
72 5 -0.0005260541 -0.0003223045 -0.0007141394 -0.0014334333 0.0088742158
72 6 0.0007577896 -0.0485361722 -0.0002122792 0.0004837936 -0.0000494596
72 7 -0.0001446275 -0.0005000008 -0.0002796600 -0.0000404827 0.0001077340
72 8 -0.0000314927 -0.0002824614 -0.0007220462 -0.0004564360 0.0003708015
72 9 0.0001337091 0.0004520434 -0.0000416113 0.0000892436 -0.0000550599
72 10 0.0014748407 0.0041749077 -0.0075307907 0.0000259458 -0.0000278735
72 11 0.0000083067 -0.0000313309 -0.0000146303 0.0000186361 0.0000694013
72 12 -0.0000926100 0.0000002811 -0.0000332366 -0.0000419062 0.0001142297
72 13 -0.0003855369 -0.0015492356 0.0022051636 0.0000048615 -0.0000747803
72 14 0.0000631470 -0.0000222161 0.0000046202 0.0000107214 0.0014146019
72 15 -0.0602422760 0.0681909691
$vibrational normal modes
1 1 0.1359568298 0.0709412940 0.0348285908 0.0478645572 0.1361632944
1 2 0.0085962483 -0.0088374514 0.0259046232 0.0266728936 -0.0289826173
1 3 0.0520331721 0.0026778328 0.0149435358 -0.0160349271 -0.0502569422
1 4 -0.0319346042 0.0231865990 -0.0499961959 0.0369847154 0.0112632668
1 5 -0.0134692457 -0.0171800762 -0.0444307185 -0.0576735127 -0.0863514454
1 6 -0.0478147935 -0.1189833890 -0.0945823644 0.2561112485 0.0807298937
1 7 0.1982849734 -0.0117886094 -0.0122383281 -0.0292816316 0.1068779994
1 8 -0.0459704773 -0.0698506539 -0.1280477001 0.0730060289 0.0620696686
1 9 -0.0271304826 0.0680598041 0.0236865843 -0.0009158706 0.0165942705
1 10 0.0503522924 0.0022251852 -0.0249493194 -0.0210826026 -0.0380909569
1 11 -0.0077551264 -0.0924425273 0.0064993423 0.0125344121 -0.0080438795
1 12 -0.0430907798 -0.0226250773 0.0024234914 0.0100727065 -0.0005703567
1 13 -0.0003612892 0.0075979002 -0.0163319144 0.0257658465 -0.0588071332
1 14 -0.0062968072 -0.0014487878 -0.0002044589 -0.0000814848 -0.0002732120
1 15 0.0000140633 0.0000659560
2 1 -0.0385419674 -0.2143064868 -0.0244795598 -0.0063784219 0.0869250680
2 2 0.0334538333 -0.0463574096 0.0576226773 0.0184633469 0.0306146548
2 3 0.0253124490 0.0106232483 -0.0146683776 0.0573364476 -0.0327864702
2 4 0.0119060561 0.0051838657 -0.0728804891 0.0398973514 0.0004650160
2 5 0.0210626158 -0.0118392770 -0.0317792728 0.0560728321 -0.0274485525
2 6 -0.0321049794 0.1389983623 0.1179786646 0.1166792074 0.1086165876
2 7 -0.0072567302 0.1036904180 -0.0467594056 -0.0045926068 -0.0743071021
2 8 -0.0436464516 0.1427358664 -0.0565386708 0.0848920930 0.0629976858
2 9 -0.1403317658 0.0957333355 0.0130938853 0.0044585303 -0.0088724701
2 10 0.0025600579 0.0046845222 -0.0621459163 0.0001076095 0.0160670358
2 11 0.0063725216 0.0312306365 0.0694315850 -0.0568059050 -0.0415265692
2 12 0.1338418839 0.0222839254 -0.0032008444 0.0030648519 -0.0002888229
2 13 -0.0000596095 0.0033109450 -0.0062999032 0.0080180620 -0.0178819534
2 14 -0.0020849398 0.0000609622 0.0026650028 -0.0000537638 0.0003738755
2 15 -0.0000811108 0.0001175539
3 1 -0.0044125644 -0.0277546609 0.0467387231 -0.0899817789 0.0196772877
3 2 -0.2704974414 -0.0639439228 -0.0871936850 -0.0574832206 -0.0436349922
3 3 -0.0313435186 -0.0060360583 -0.0119357500 -0.0932060742 0.0234716143
3 4 0.0485770303 -0.0269053652 0.0554089944 -0.0269431797 0.0001733074
3 5 0.0001083146 -0.0092682788 0.0412553858 0.0098131172 -0.0419028733
3 6 -0.0924035381 0.0431810153 0.0013101457 0.0950899349 0.0724800895
3 7 0.0974842539 -0.0044612158 -0.0903242698 -0.0015305242 0.0119035038
3 8 -0.1127020505 0.0095849667 0.2453822883 -0.0409404966 0.0196576843
3 9 0.0968367207 0.1314697871 0.0532092605 -0.0124470973 -0.0581044089
3 10 -0.0072044289 -0.0070374652 0.0150526729 -0.0065935311 0.0210386808
3 11 0.0115564148 0.0838139163 -0.0391467960 -0.0337958574 -0.0005436991
3 12 -0.0436058413 0.0113996727 -0.0388064958 -0.0241661692 -0.0000520127
3 13 -0.0002341493 0.0060758969 -0.0115135632 0.0187162332 -0.0433887515
3 14 -0.0047319427 -0.0020323013 0.0002253730 -0.0001704664 0.0000710993
3 15 -0.0000957717 0.0000055841
4 1 0.1140446460 0.1286783746 0.0085630654 0.0706171942 0.1681746539
4 2 0.0377232986 0.0170072599 0.0402506020 0.0078278443 0.0222029291
4 3 0.0361239820 0.0175209772 0.0147098340 -0.0376129401 -0.0284300108
4 4 -0.0058752532 0.0359762991 -0.1239715263 -0.0089981327 0.0147112105
4 5 -0.0121024239 -0.0254872591 -0.0163565341 -0.0509263563 -0.0828282036
4 6 0.0137632744 -0.0955928666 -0.0679240765 0.2331258144 -0.0458619813
4 7 -0.1093418945 0.0409715398 0.0137526108 0.0112108162 -0.0878815658
4 8 0.0316956412 0.1166138036 0.1029201197 -0.0993629317 -0.0311432048
4 9 0.0438354997 0.0029719351 -0.0152722929 0.0041848172 -0.0400192893
4 10 -0.0444851521 0.0050090329 0.0079789511 -0.0031365721 0.0584722472
4 11 0.0186269046 0.0439836131 -0.0239097148 0.0744988827 0.0831797795
4 12 0.0784364435 -0.0009029645 0.0840092536 0.0662829144 -0.0001674757
4 13 -0.0000465227 0.0071194240 -0.0094682933 0.0016747400 0.0046956703
4 14 0.0007325436 0.0004979855 0.0000904056 -0.0000309143 0.0019553671
4 15 -0.0000022838 -0.0000876395
5 1 -0.0251253403 -0.1236629800 -0.0685877637 -0.0638480732 0.1250938736
5 2 0.0552376269 -0.0896897072 0.0096642174 -0.0718126084 0.0237129426
5 3 -0.0397295992 0.0353300073 -0.0415385287 0.0448481044 -0.0296551225
5 4 0.0331335678 0.0095974379 -0.0607433136 -0.1501480874 -0.0145426712
5 5 -0.0199001950 -0.0270430582 -0.0002856878 0.0223317060 0.0119819137
5 6 -0.0929053908 -0.0322481252 -0.0038069560 -0.0402533339 0.0021563173
5 7 0.0352385162 -0.0103336619 -0.0856661219 0.0582548275 0.1363842286
5 8 -0.0585535746 0.1523367295 -0.0600059649 -0.2349022020 -0.0339820343
5 9 -0.0189339146 -0.1552296722 0.0143548177 0.0079388960 -0.0135168544
5 10 -0.0167800382 0.0044858458 -0.0007988598 0.0053166250 0.0505938071
5 11 -0.0147109056 -0.0285049268 0.0449312672 -0.0017056485 -0.0700069015
5 12 -0.0929195448 -0.0534605125 0.0377539845 0.0262504915 0.0005620272
5 13 0.0000083331 0.0062665500 -0.0094811908 0.0027186731 0.0034803109
5 14 0.0005929392 0.0007797269 -0.0005996927 -0.0000066930 0.0004220174
5 15 0.0000315284 0.0000164785
6 1 -0.0842811653 0.0124981056 0.0323079837 0.0517622270 0.0583219273
6 2 -0.2178473754 0.0465231152 -0.0022404794 0.0215263862 0.0675120881
6 3 -0.0029868183 0.0402441448 -0.0307169675 -0.1429690180 0.0092904147
6 4 -0.0201859761 0.0353000557 -0.0196119412 -0.0782786404 0.0100302515
6 5 -0.0274021821 -0.0534098223 -0.0350560647 -0.0204992184 -0.1183718709
6 6 0.0515179876 0.0587192425 0.1387254219 -0.1504604787 0.0169372181
6 7 0.2069488161 -0.0287755548 0.0836360559 -0.0002220856 -0.1063135457
6 8 0.1350271925 0.0557783131 -0.0156613395 0.0173120670 -0.0339301108
6 9 0.0123670561 -0.0187605230 -0.0534209242 0.0088969688 -0.0338213934
6 10 -0.0656326164 0.0017462555 -0.0250913945 -0.0045670067 0.0010636265
6 11 -0.0051370024 -0.0520804646 0.0142896070 0.0202028243 -0.0025381400
6 12 -0.0090527868 -0.0131039935 0.0156377725 0.0108982710 -0.0001103685
6 13 0.0004538442 -0.0474657534 0.0594559356 -0.0116468477 -0.0288040794
6 14 -0.0042147538 -0.0039408805 0.0002354156 -0.0000571525 -0.0006203867
6 15 0.0004011275 -0.0000715831
7 1 0.1578798503 0.0635332353 0.0303202136 0.0209125194 0.1250449682
7 2 -0.0160854275 0.0115777275 0.0142735668 0.0630378571 0.0517073769
7 3 0.0335420758 0.0640375093 0.0210924902 -0.0951599940 -0.0687002339
7 4 0.0711001507 0.0073056402 -0.1069478645 -0.0286661699 -0.0006472687
7 5 0.0043470294 -0.0010328237 0.0745318506 -0.0155212958 -0.0525249315
7 6 -0.0060885332 0.0121304597 0.0735629047 -0.0327912179 -0.0324417799
7 7 -0.0412765070 0.0252979549 -0.1412188222 0.1129927909 -0.0339879006
7 8 -0.0577660771 -0.0870353160 0.0876564252 0.1255019136 -0.0308492804
7 9 -0.0924614503 -0.2106316652 0.0087396896 0.0054146342 0.0113773128
7 10 0.0215105325 0.0327875575 0.0056134272 -0.0017731689 0.0531829773
7 11 -0.0061709348 -0.0516405204 0.0264892594 0.0380728503 0.0144106909
7 12 0.0092547178 0.0381353510 -0.0990341837 -0.1013226441 -0.0004315579
7 13 0.0000706514 -0.0053185782 -0.0041973364 0.0027006768 0.0027173730
7 14 0.0004863675 0.0011314845 0.0001119015 -0.0000196115 -0.0004470099
7 15 -0.0004986820 0.0000595574
8 1 -0.0098570661 -0.0491996266 -0.1496167879 -0.0318921084 0.1409480425
8 2 -0.0042694116 -0.0026939272 -0.0058821421 -0.0108812890 0.0346404327
8 3 -0.0745656822 -0.0190582662 -0.0294938975 0.0805173700 0.0079007083
8 4 0.0380024047 -0.0306831853 0.0845651634 -0.0622353570 -0.0007992181
8 5 -0.0318181850 0.0028170143 -0.0085096672 -0.0736962186 -0.0523613453
8 6 0.0685538669 -0.0773793511 0.1239989088 -0.0063384249 -0.0510390169
8 7 -0.0665487645 -0.0487481802 -0.1520188140 0.0743526644 -0.0081926816
8 8 0.0757535012 -0.0876287756 -0.0815878832 -0.1297089008 0.0667368228
8 9 0.0098626431 0.1703096819 -0.0505532449 0.0530098957 -0.0537278505
8 10 0.0453618770 0.0037831277 -0.0125062388 -0.0054974715 0.0138843415
8 11 -0.0199004588 -0.0412528646 -0.0483261323 -0.0416873550 0.0246148054
8 12 0.0210478089 0.0974302214 -0.0555954011 0.0320996296 0.0008249396
8 13 0.0001669743 -0.0175259791 -0.0112694599 0.0063797895 0.0033657601
8 14 0.0008616467 0.0021176987 0.0001243042 -0.0000381461 0.0000361865
8 15 -0.0014585666 -0.0002636602
9 1 -0.1574943695 0.0523231785 0.0588808958 0.0997976389 0.1084341947
9 2 -0.0990332454 -0.0026049091 0.0446954060 -0.1020290154 0.0174560385
9 3 0.0577836436 0.0389347670 -0.0364442581 -0.1181804469 0.0051981472
9 4 -0.1116863963 0.0798819911 -0.0300728932 -0.0808028056 -0.0050449534
9 5 -0.0370943720 -0.0565871406 -0.0807771477 0.0383326168 -0.0425562307
9 6 0.0776576630 0.0472727035 -0.0086747180 -0.1096453370 0.0027300246
9 7 -0.1609879110 0.0126186576 0.0189576073 -0.0799189752 0.1353947488
9 8 -0.1283752176 -0.0551914163 -0.0234711983 0.0143808603 0.0499470710
9 9 0.0255366486 0.0826068444 0.0103207686 -0.0313540548 0.0567174159
9 10 0.0140503877 -0.0158754000 0.0191042238 -0.0163437277 0.0803867688
9 11 -0.0105915511 -0.0205082299 0.0010052045 -0.0080229048 0.0061506782
9 12 0.0090705124 0.0448781663 -0.0240765380 0.0114801913 0.0008496211
9 13 -0.0004360029 0.0629551564 0.0390547851 -0.0256321013 -0.0134907760
9 14 -0.0034130135 -0.0083407932 -0.0000924383 -0.0000127406 -0.0003795874
9 15 -0.0018233891 0.0000813475
10 1 0.1470944124 0.2150634386 -0.0578740264 0.0218726919 0.1919181382
10 2 0.0091542668 0.0123572356 -0.0180394683 -0.0323638238 -0.0092181875
10 3 -0.2387585962 0.0503449876 -0.1312913892 0.0510609855 0.2083993750
10 4 -0.0112852006 0.0130118811 -0.0713598229 0.0390067881 0.0269891244
10 5 0.0372719973 -0.0023494054 -0.0347262278 0.0122106226 0.0489075049
10 6 -0.0338964293 0.0658414697 0.0030895311 -0.0015522735 0.0069263290
10 7 -0.0070831317 0.0099702640 0.0165943592 -0.0084566669 -0.0295157974
10 8 0.0042302556 0.0089945154 0.0390040114 0.0141863559 -0.0056616807
10 9 0.0106978859 0.0215158897 -0.0248462859 0.0028586376 0.0362439918
10 10 0.0151122433 -0.0013699372 -0.0149215827 0.0011823563 -0.0021674710
10 11 -0.0067287782 -0.0129498958 0.0209588805 -0.0237057923 -0.0362869672
10 12 -0.0220485654 -0.0097806159 -0.0083841070 -0.0080706119 0.0000893704
10 13 -0.0000355927 -0.0000516739 0.0000717822 0.0000269266 0.0000194414
10 14 -0.0000248616 0.0000401753 -0.0020006364 -0.0001608004 0.0532578063
10 15 -0.0088212647 0.0002850956
11 1 -0.0257846355 -0.1335459321 -0.0722545685 -0.0426021121 0.1179991209
11 2 0.0382164553 -0.0613364830 0.0207895547 -0.0278729134 0.0378141076
11 3 -0.0359473823 0.0229146693 -0.0220626551 0.0863110762 -0.0573634333
11 4 0.0436919234 0.0055468994 -0.0801198237 -0.1905637179 -0.0114866295
11 5 -0.0204266561 -0.0314628485 -0.0050220787 0.0222530370 0.0448181282
11 6 -0.1888599234 -0.1087088664 -0.0979311550 -0.0623086278 -0.0100203212
11 7 -0.0147645694 0.0044419485 0.1019600737 -0.0504684574 -0.1110260695
11 8 0.0467377337 -0.0885694630 0.0563411378 0.1411343219 0.0051817832
11 9 0.0195389177 0.0682341413 -0.0130662702 -0.0026242108 0.0076692086
11 10 0.0016277113 -0.0006445710 0.0016231069 -0.0005349215 0.0000848016
11 11 -0.0002874637 0.0005130084 0.0003177463 -0.0044219597 -0.0018337591
11 12 -0.0013924755 0.0002976204 -0.0049823188 -0.0059495226 -0.0000691372
11 13 -0.0000369917 0.0006744381 -0.0002141409 -0.0001070410 0.0004921922
11 14 0.0000580465 -0.0000350543 0.0013819715 0.0001073160 -0.0297478602
11 15 0.0050207981 -0.0001842665
12 1 -0.0721375394 0.0025460291 -0.0176111776 0.1374420824 0.0332147808
12 2 -0.3182283606 0.2031931115 0.0236389876 0.2710826515 0.1475055064
12 3 -0.0946405970 -0.0630832664 0.0797655180 0.1623144140 -0.0523135004
12 4 -0.0171745211 0.0041532294 -0.0397314707 -0.0403904575 0.0354804357
12 5 0.0292030933 0.0101104224 -0.0344530434 -0.0132468919 0.0783114798
12 6 -0.0545935223 0.0124799852 -0.0256116461 0.0050213167 0.0031792886
12 7 -0.0137183572 -0.0007166188 -0.0208637746 0.0046367342 0.0474619146
12 8 -0.0324569822 0.0139689596 -0.0166580390 -0.0381067502 0.0003323202
12 9 -0.0053684383 -0.0332034729 0.0159495989 -0.0042535191 0.0097901777
12 10 0.0066894318 0.0005801485 -0.0009144929 0.0010006836 -0.0199868510
12 11 0.0055796853 0.0094654971 -0.0101076530 0.0067867898 0.0168359104
12 12 0.0153164630 0.0035183677 -0.0001189484 -0.0018647963 -0.0000394735
12 13 0.0000013316 -0.0000808447 -0.0005320206 0.0002189293 0.0004920100
12 14 0.0000799848 0.0001310181 0.0002209258 0.0000426180 -0.0069070220
12 15 0.0011654066 -0.0000403968
13 1 0.0462902187 0.1498729285 0.0235361074 0.1540555330 0.2018304549
13 2 0.1138529177 0.0456026567 0.1057207997 -0.0092164964 0.0638057787
13 3 0.0918429033 0.0373491115 0.0226132481 -0.0369477128 -0.0717089510
13 4 -0.1255619563 0.1179458253 -0.1958559991 -0.0221071523 0.0034162138
13 5 -0.0490008718 -0.0745342631 -0.1161696394 -0.0363516814 -0.1347646763
13 6 0.1764629460 -0.0956880463 -0.0480333333 0.1741860326 -0.1338765614
13 7 -0.5032298870 0.1442020517 0.2489054662 -0.1210979109 -0.2544671108
13 8 0.1551128738 0.2778716203 -0.1516497316 -0.1630928737 -0.0514783634
13 9 0.0494489535 -0.0210066980 0.4654477484 0.0016017402 -0.3601964332
13 10 -0.0531151780 -0.0109625846 0.0094266577 0.0391125424 -0.4250417895
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59 3 -0.2271060166 -0.1425089806 0.2722888680 -0.2882976294 0.0748398247
59 4 -0.0075645425 0.0251077278 -0.2704270529 -0.2139419889 -0.2273399314
59 5 -0.0217376498 0.6946520272 -0.4485550626 0.0201866580 -0.3013648681
59 6 -0.1433238111 0.1401884544 -0.0361082433 -0.0305465697 0.0303147209
59 7 -0.0292702310 0.0244404566 0.1262410738 0.2007204810 0.0795368144
59 8 0.0450761054 -0.0107963655 0.0528874691 0.0146770308 0.1078722045
59 9 0.0412859212 0.0129388024 0.0341594042 0.1055056887 0.0487575367
59 10 -0.0645775025 0.0837622918 0.0415957960 -0.0247646405 -0.0265470688
59 11 -0.1660875953 0.0427505264 0.0970732692 -0.0395923783 0.1256160907
59 12 -0.0356861729 -0.0348906378 -0.0251748737 0.0210116364 -0.0156309635
59 13 -0.0041277605 -0.0003387904 0.0001047525 -0.0014817432 -0.0003748535
59 14 0.0148850818 -0.0035170622 -0.0017591703 -0.5035070736 -0.0025934444
59 15 -0.0035520296 0.0029790148
60 1 -0.0468250593 0.0028496932 0.1645904326 -0.2729783419 0.0865175631
60 2 -0.0200516442 0.0117317376 0.2399578212 0.0728992245 0.0455947858
60 3 0.0845845087 0.1300348707 0.0498629077 0.1376890902 0.1080244213
60 4 0.0209620460 0.0186817725 0.0678099422 -0.0001712143 0.0137296252
60 5 0.0016838222 0.0062966070 0.0179033799 -0.0535516564 -0.0959446533
60 6 0.0305066184 0.1212084529 -0.2201380478 -0.1103678432 -0.1588446864
60 7 0.0439136258 -0.1166419047 -0.2957726097 -0.3352185089 -0.2308764196
60 8 -0.1506171992 0.0201732744 -0.1555528403 -0.0068054949 -0.3025566237
60 9 -0.0213930060 -0.0014317908 -0.1045666373 -0.2747056659 -0.1377230734
60 10 0.1685894741 -0.1863700190 -0.1055508708 0.0828261545 0.0614480987
60 11 0.4917227826 -0.1056182079 -0.2481719216 0.1259229120 -0.3368959807
60 12 0.0730724681 0.0984330667 0.0637722644 -0.0556864720 0.0184543955
60 13 -0.0024150109 0.0001380038 0.0002365198 -0.0000411331 -0.0006463384
60 14 0.0049890643 0.0004726521 -0.0024872734 -0.5302468980 -0.0024648846
60 15 -0.0040619034 0.0035611156
61 1 0.1445767917 0.2477978657 -0.0768488825 0.0223161315 0.2064333187
61 2 0.0148123799 0.0068436633 -0.0178416782 -0.0817830227 -0.0520964918
61 3 -0.3766577728 0.0683835997 -0.2082825522 0.1265109767 0.3218274920
61 4 -0.0240667787 0.0128426764 -0.0763194186 0.1989258753 -0.1266593539
61 5 -0.0716589534 -0.0210372473 0.0692262209 0.1235989147 -0.0167790853
61 6 0.0146562892 0.1127141839 0.0602975818 -0.1131564776 0.0507090034
61 7 0.1195982659 -0.0183601921 -0.0201316866 -0.0049630129 0.1328777000
61 8 -0.0499003698 -0.0534596647 -0.2253851020 0.0480627540 0.0436514905
61 9 -0.1071791718 -0.1202664196 0.1389906725 -0.0309950385 -0.1678166850
61 10 -0.0676868894 0.0045234772 0.0943857720 -0.0016128487 0.0115377423
61 11 0.0306634281 0.0667292593 -0.0731672731 0.0925969488 0.1311707334
61 12 0.0838657109 0.0286567603 0.0285185496 0.0174832391 -0.0003393127
61 13 0.0003157227 0.0011682894 -0.0009838631 -0.0002210465 0.0010488788
61 14 0.0000777022 0.0001017261 0.0273032190 0.0028642322 -0.8632995241
61 15 0.1439043632 -0.0045368194
62 1 -0.0164012625 -0.0746128261 -0.1078979542 -0.0676557204 0.1404045088
62 2 0.0403428499 -0.0827717798 -0.0030058193 -0.1083646547 -0.0236062243
62 3 -0.2740372947 0.0704019343 -0.1654808382 0.1669988478 0.1510931182
62 4 0.0220877623 0.0025088672 -0.0748927554 -0.0181918189 -0.1326338145
62 5 -0.0977632839 -0.0405339021 0.0666811972 0.1461661048 0.0248416824
62 6 -0.1371018713 0.0429567251 0.0361622279 -0.3069231220 0.0830332455
62 7 0.2342063519 -0.0538295944 0.0254482395 -0.0462816928 0.2197502532
62 8 -0.0677864738 -0.2310484501 -0.4898564811 0.2259904432 0.1117695858
62 9 -0.2270947943 -0.2154609600 0.3256214820 -0.0721750994 -0.4058179985
62 10 -0.1604323933 0.0119199132 0.2296279346 -0.0054597115 0.0204053580
62 11 0.0756512273 0.1618250524 -0.1908783143 0.2290944472 0.3354532871
62 12 0.2074491341 0.0757951714 0.0648042910 0.0391728207 -0.0009836698
62 13 0.0001155495 0.0003067865 -0.0003789948 -0.0004576709 0.0011798557
62 14 0.0003128063 -0.0002451112 -0.0142529296 -0.0016722271 0.4577205564
62 15 -0.0766654092 0.0025214503
63 1 -0.1247041247 0.0290052864 -0.0275664404 0.2316741267 0.0584804420
63 2 -0.2843869429 0.2421877643 0.1094818989 0.2087682723 0.0651052444
63 3 -0.2211029149 -0.1056694796 0.0475200740 0.4108818925 0.0021804750
63 4 -0.0317477072 0.0121066726 -0.0949236671 0.4661095564 -0.6325437703
63 5 -0.4842567292 -0.0954702771 0.4491462707 0.3304719938 -0.3193327110
63 6 0.0790418828 -0.2271402550 -0.1246288535 0.0778079228 -0.0325054516
63 7 -0.0260344175 0.0086974436 0.0310316696 0.0035590970 -0.0657085503
63 8 0.0279511835 0.0604191045 0.1707798183 -0.0511343799 -0.0499095544
63 9 0.0852136939 0.0382207465 -0.1008076688 0.0178370833 0.1296651050
63 10 0.0354993483 -0.0034554824 -0.0904663800 0.0010071341 0.0019671188
63 11 -0.0219755772 -0.0488703323 0.0625280293 -0.0650215635 -0.0972885063
63 12 -0.0479301324 -0.0172910632 -0.0181042348 -0.0095233189 0.0002677881
63 13 0.0000220550 -0.0000314153 0.0032292736 -0.0012474646 -0.0020280379
63 14 -0.0002750203 -0.0004938962 -0.0024310432 -0.0004953242 0.1152386595
63 15 -0.0197191769 0.0006256685
64 1 0.1537084466 0.0788334791 0.0226857636 0.0248855573 0.1329280266
64 2 -0.0101589313 0.0146738341 0.0087742677 0.0612243050 0.0560861859
64 3 0.0402079913 0.0784171107 0.0255808775 -0.1089006766 -0.0766490345
64 4 0.0682187563 0.0265364488 -0.1288232964 -0.0095630055 -0.0126280477
64 5 0.0217772971 -0.0032381905 0.1002556766 -0.0205882986 -0.0615548050
64 6 -0.0267546885 0.0281805822 0.0845173902 -0.1049621802 -0.0263143769
64 7 -0.2120141454 -0.0433483333 -0.2312730724 0.0714148240 0.1103315706
64 8 -0.1236444968 -0.2726596270 0.0220851117 0.0641971528 0.1644739925
64 9 -0.1786287402 0.0935896186 -0.1444283935 -0.1269052860 -0.0144512237
64 10 -0.3573475496 -0.0815617600 -0.0804730849 0.0324869850 -0.2730697883
64 11 0.0273705576 0.0864566081 -0.0040949270 -0.0734702908 -0.0848836771
64 12 -0.0901704285 -0.1148245746 0.1532063106 0.1276849531 0.0022319545
64 13 0.0001589076 -0.0000727196 0.0011541727 0.0001864686 -0.0007702441
64 14 -0.0005667546 0.0001192725 -0.0040130182 -0.0065726307 0.1323693149
64 15 0.7930631156 -0.0220277033
65 1 0.0119843659 0.0842324091 -0.2366077644 -0.0775003456 0.1895000464
65 2 -0.0103234997 0.0870116514 -0.0656358172 -0.0419001759 0.2370499702
65 3 0.4549100770 -0.5212910377 0.0149848231 -0.0478139606 0.2434156829
65 4 0.1325227950 0.1659184325 0.2669265985 -0.0564388349 -0.4444522460
65 5 0.4493610713 -0.1498987489 -0.1060445994 -0.1188961540 0.1995267674
65 6 -0.0665882386 0.0503712153 -0.0696474810 0.0128651907 0.0365396579
65 7 0.1880870333 0.0209877610 0.2174027681 -0.0728314831 -0.0622973280
65 8 0.1311468919 0.2453446959 -0.0752683144 -0.0885091489 -0.1393315157
65 9 0.1650936951 -0.0068370788 0.1236718937 0.1139612064 0.0006718690
65 10 0.3048773065 0.0620101533 0.0697107469 -0.0280015104 0.2345508814
65 11 -0.0254095289 -0.0783877094 -0.0042349592 0.0593330769 0.0775040874
65 12 0.0819596438 0.1001815247 -0.1345005510 -0.1078852157 -0.0023958104
65 13 0.0003784402 0.0017713452 0.0001335190 0.0002917530 -0.0000591196
65 14 0.0002122931 0.0003509427 -0.0021399815 -0.0035680834 0.0676101070
65 15 0.4023709843 -0.0107682883
66 1 -0.2794181192 0.1157607410 0.0639093420 0.2605019410 0.1774124832
66 2 0.0293024007 -0.0497913014 0.1723265263 -0.2405743745 -0.2720724856
66 3 0.0169515222 -0.0516576619 0.1501100939 0.1647047729 0.0232818181
66 4 0.0480988974 -0.3446205097 -0.1002656130 0.0913180306 0.4597794671
66 5 -0.4513640480 0.1903952681 0.0714409194 0.2468792641 -0.0100246942
66 6 0.0016136218 0.0333307514 -0.0340058704 -0.0455397533 0.0378747240
66 7 0.1846571377 0.0079985451 0.2441811830 -0.1170335401 -0.0792549696
66 8 0.1053093243 0.2315323776 -0.0458878410 -0.0925855159 -0.1146663618
66 9 0.1752748616 -0.0559014539 0.1250002752 0.1028130213 0.0206957673
66 10 0.3077500793 0.0648053575 0.0678018797 -0.0295470071 0.2189883448
66 11 -0.0237830110 -0.0704220033 0.0058655363 0.0576099505 0.0608772171
66 12 0.0620821740 0.0948609074 -0.1217380702 -0.0989253416 -0.0011941795
66 13 0.0001180584 0.0038608128 0.0007309940 -0.0022242892 -0.0010369496
66 14 -0.0004198462 -0.0008877761 -0.0020487276 -0.0035670976 0.0701085234
66 15 0.4212677732 -0.0122465750
67 1 0.1515933834 -0.1402112750 0.1574741036 0.0457628014 0.0427548180
67 2 -0.0272401092 -0.0822189385 0.1492238000 -0.0053685648 0.0409366152
67 3 -0.0321830119 -0.0046392160 0.0770900001 0.0069408259 0.1385947586
67 4 -0.4516957702 -0.5764226091 -0.2783067008 -0.2466129377 -0.1423347521
67 5 0.1185582562 -0.0887843544 0.0554767704 -0.1864068391 -0.0866142855
67 6 0.1726054696 -0.0233913870 0.1237536315 -0.0322344170 0.0202579758
67 7 -0.0987385819 0.0284993304 0.1810485042 -0.1958745408 0.2132878473
67 8 -0.3797236466 0.1316960649 0.0468714315 0.3641648713 -0.1014615189
67 9 0.1242407200 -0.2059661988 -0.2025541366 0.3257091178 -0.2077280121
67 10 0.1026195611 -0.1583999630 -0.0330431369 -0.0908356735 -0.1657518945
67 11 -0.0018409488 0.1220673998 0.1151894340 0.1397322756 -0.0556321830
67 12 -0.0831604296 0.1818158707 -0.0101751606 0.1179660999 0.0273609324
67 13 -0.0007481817 -0.0012862087 -0.0009356532 0.0002960913 0.0002065677
67 14 -0.0014628796 0.0008827610 -0.0011847025 -0.0019713516 0.0002438556
67 15 -0.0088776959 -0.3420384275
68 1 0.0077338259 0.0478035718 -0.2309218780 -0.0331234700 0.1699935230
68 2 -0.0398841713 0.1042142303 -0.0345252006 -0.0757205253 0.0445019820
68 3 -0.0090185971 0.1314546074 -0.0936534862 -0.0472557915 -0.2079479884
68 4 0.3054940130 0.3761359222 0.3320235480 0.1350897912 0.0682106433
68 5 -0.0966645016 0.1280968033 0.0250966781 0.0732143139 0.1505120595
68 6 0.0533490926 0.0429696716 -0.0578475361 0.0392626777 0.0184021424
68 7 0.0486616634 0.0142339192 0.0548937063 -0.0287479813 -0.0526822109
68 8 -0.0143625023 -0.0126177355 0.0056125727 -0.0561102512 0.0211714941
68 9 -0.0269288517 -0.0115420624 -0.0020073956 0.0036628260 -0.0058475578
68 10 0.0060147788 -0.0050649197 -0.0032601910 0.0031391109 -0.0058151962
68 11 0.0008031084 0.0077123315 0.0100185333 0.0089311771 -0.0011973255
68 12 -0.0060038981 0.0116662107 -0.0000442336 0.0118264791 -0.0062728368
68 13 -0.0008455543 0.0011284420 0.0038888037 0.0091140654 0.0018348321
68 14 0.0048896096 0.0033099437 -0.0035021491 -0.0056897295 0.0005301376
68 15 -0.0253862152 -0.8935941508
69 1 -0.2564430234 0.1113391571 0.1654039423 0.0194281637 0.2022186718
69 2 0.1867076155 -0.3229775820 -0.1651286860 0.4611917989 -0.1452858166
69 3 -0.2238366315 -0.3636205370 -0.1606328779 0.0226048394 -0.1355943763
69 4 0.5764551362 0.4805151290 0.3329993947 0.0773290345 0.1052859106
69 5 -0.1384865036 0.0940651632 0.0107227090 -0.0391810170 -0.0310303646
69 6 0.1075982326 -0.0053626791 0.0653665846 -0.0512906235 0.0348368902
69 7 -0.0830415356 0.0155801620 0.2047387053 -0.2015948422 0.2186192628
69 8 -0.3482513410 0.1408403269 0.0593374352 0.3432760294 -0.1236075004
69 9 0.0866156272 -0.1827259455 -0.1990528621 0.3250354867 -0.2122469711
69 10 0.1134215275 -0.1714476417 -0.0425395100 -0.0778396757 -0.1589647762
69 11 -0.0145518909 0.1213351196 0.1117732264 0.1340420917 -0.0488795860
69 12 -0.0809524531 0.1855640497 -0.0015377356 0.1126245814 0.0037799128
69 13 -0.0000834819 -0.0025147108 -0.0029514985 -0.0054953494 -0.0015460893
69 14 -0.0017620851 -0.0023784259 0.0011418798 0.0018408209 0.0000073302
69 15 0.0078867601 0.2820527689
70 1 0.2396856636 0.1150395083 -0.0348920732 -0.0862418046 0.1164203875
70 2 -0.1011755182 -0.0539729704 -0.1257132398 -0.0002019833 -0.1925353452
70 3 -0.1126823927 -0.0953541850 0.1208571576 0.3756516758 -0.0820940756
70 4 -0.1239507369 0.0718852261 0.2295673643 -0.4238568211 0.1385562203
70 5 0.4691501480 0.1034726843 0.3126628239 0.6977132551 -0.5103248803
70 6 0.5865948394 -0.3756109400 -0.0510392573 0.0467049240 0.0403086302
70 7 0.0474627596 0.0347181267 0.0272968163 -0.0045342254 -0.0374126974
70 8 -0.0058436090 0.1434938526 -0.0262858893 0.0548366468 0.0402641704
70 9 -0.1343985528 0.0973937675 -0.0828078605 -0.0262747751 0.0296557952
70 10 0.0088111467 -0.0177641939 0.1352252442 0.0024030481 -0.0374006405
70 11 -0.0088769768 -0.0465670736 -0.0669665083 0.0454996319 0.0459997222
70 12 -0.0817421912 0.0025999094 -0.0177348629 -0.0082844021 0.0000186686
70 13 0.0002999329 0.0007448084 0.0020173933 0.0003658267 -0.0045399305
70 14 -0.0004754423 -0.0009095601 0.2137817215 -0.0010473883 0.0078621413
70 15 -0.0006753012 -0.0007491910
71 1 -0.0345204425 -0.2206759811 -0.0737454567 0.0902078182 0.0661215408
71 2 -0.0585617503 0.0312688347 0.0015847650 0.1870821483 -0.1432833959
71 3 0.1298945608 0.1105510700 -0.1534188722 0.0299497992 0.1026889332
71 4 0.0546295556 -0.0036567335 -0.0774728305 -0.0081688003 0.0387147221
71 5 0.1380435765 0.0579196678 0.0429886890 0.1649649650 -0.0853704135
71 6 0.2445743439 -0.2587480747 -0.0652065913 -0.0624719687 0.0192109626
71 7 0.0337578620 -0.0137308526 -0.0097768670 -0.0044120344 0.0085134370
71 8 -0.0144694650 0.0022376894 0.0364284754 -0.0025713333 0.0035354030
71 9 0.0159959173 0.0220909439 0.0073243019 -0.0000316487 -0.0081540754
71 10 -0.0082641685 -0.0016108704 -0.0057520132 0.0024844735 0.0014957639
71 11 -0.0016986828 -0.0041347792 0.0008297638 0.0003064400 0.0025737203
71 12 0.0007301453 0.0041232902 -0.0034927762 -0.0010681690 -0.0000205587
71 13 -0.0003810989 -0.0011683392 0.0009062761 -0.0005316756 -0.0002874392
71 14 0.0005600362 0.0017364530 -0.9671345041 0.0041567282 -0.0305538351
71 15 0.0003001480 0.0036968987
72 1 0.0000000000 -0.0334738158 0.0000000000 0.0000000000 0.0000000000
72 2 -0.3576683508 0.0065771069 -0.1480884835 0.1022618593 -0.2287887072
72 3 0.0879553210 0.1075684953 -0.1698908947 -0.1519982330 0.1857503410
72 4 0.1091079973 -0.0457874244 0.0302367297 -0.0483600334 0.0529575212
72 5 0.1212413689 0.0728929600 0.0969137743 0.0833572854 -0.0651430416
72 6 0.1903123058 -0.4060855997 -0.2743825385 0.0178187880 -0.1238126485
72 7 -0.0125612318 -0.1364790304 0.1172773340 -0.0464495254 0.2067745016
72 8 0.1298050532 -0.4602709948 -0.1682446165 -0.1103345841 -0.1144282322
72 9 0.3978914847 -0.3266932832 0.2377116730 0.0850081413 -0.1152998016
72 10 -0.1336254412 0.0501701125 -0.6064297693 -0.0282134520 0.1715513410
72 11 0.0227589524 0.1352509628 0.2765685352 -0.1783889317 -0.1622505166
72 12 0.3636490203 0.0414279788 0.0190050473 0.0173783768 0.0004332834
72 13 -0.0001750206 0.0019331427 -0.0025034825 0.0011545311 -0.0022716780
72 14 -0.0002458919 0.0007149630 0.1188630928 -0.0005382671 0.0032081067
72 15 0.0001338879 -0.0004758088
$vibrational spectrum
# mode symmetry wave number IR intensity selection rules
# cm**(-1) km/mol IR RAMAN
1 0.00 0.00000 - -
2 0.00 0.00000 - -
3 0.00 0.00000 - -
4 0.00 0.00000 - -
5 0.00 0.00000 - -
6 0.00 0.00000 - -
7 a 79.11 2.50865 YES YES
8 a 111.14 4.70733 YES YES
9 a 128.95 8.24925 YES YES
10 a 171.68 3.05824 YES YES
11 a 220.24 22.85091 YES YES
12 a 238.65 25.91541 YES YES
13 a 259.09 23.53092 YES YES
14 a 289.39 1.84220 YES YES
15 a 292.16 9.29425 YES YES
16 a 356.96 24.49248 YES YES
17 a 380.94 68.58315 YES YES
18 a 427.09 4.75887 YES YES
19 a 450.17 29.33362 YES YES
20 a 489.45 112.80149 YES YES
21 a 506.97 210.42371 YES YES
22 a 519.01 184.12620 YES YES
23 a 526.42 75.97029 YES YES
24 a 548.28 66.90077 YES YES
25 a 557.89 140.49438 YES YES
26 a 590.77 65.99809 YES YES
27 a 622.12 66.60426 YES YES
28 a 750.37 0.59595 YES YES
29 a 825.73 58.78522 YES YES
30 a 926.34 23.38665 YES YES
31 a 980.35 19.13510 YES YES
32 a 1001.82 4.36649 YES YES
33 a 1077.96 9.32844 YES YES
34 a 1097.72 97.87396 YES YES
35 a 1120.44 73.92998 YES YES
36 a 1162.50 17.72194 YES YES
37 a 1168.82 147.24349 YES YES
38 a 1179.18 109.17540 YES YES
39 a 1196.14 133.30201 YES YES
40 a 1204.17 59.09036 YES YES
41 a 1218.44 133.94473 YES YES
42 a 1226.96 6.36678 YES YES
43 a 1313.89 65.13506 YES YES
44 a 1330.46 28.98256 YES YES
45 a 1351.17 68.74954 YES YES
46 a 1363.28 10.28694 YES YES
47 a 1384.90 7.73485 YES YES
48 a 1398.66 80.68311 YES YES
49 a 1436.92 0.72064 YES YES
50 a 1469.23 76.48292 YES YES
51 a 1489.21 22.89297 YES YES
52 a 1491.92 12.27572 YES YES
53 a 1517.92 7.13129 YES YES
54 a 1527.92 11.07209 YES YES
55 a 1532.95 55.88330 YES YES
56 a 1554.99 54.55795 YES YES
57 a 1562.67 12.24914 YES YES
58 a 1569.55 6.54568 YES YES
59 a 1578.29 1.68522 YES YES
60 a 1675.91 1.71361 YES YES
61 a 3234.19 39.74562 YES YES
62 a 3255.50 0.29174 YES YES
63 a 3267.22 16.52966 YES YES
64 a 3285.48 15.06620 YES YES
65 a 3292.16 72.13347 YES YES
66 a 3294.89 21.20647 YES YES
67 a 3316.09 19.25732 YES YES
68 a 3849.23 83.93412 YES YES
69 a 3865.72 30.23864 YES YES
70 a 3872.12 50.92729 YES YES
71 a 3874.90 54.82128 YES YES
72 a 3889.18 35.09863 YES YES
$end
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