polyacenes(n=12)


HF/6-31G

C -14.646036 -0.725389 0.007277
C -13.494214 -1.411655 0.005801
C -12.210132 -0.731584 0.004273
C -12.210156 0.731493 0.004341
C -13.494261 1.411522 0.005923
C -14.646059 0.725218 0.007330
C -11.034316 -1.405929 0.002792
C -11.034364 1.405876 0.002931
C -9.765727 0.729286 0.001429
C -9.765706 -0.729300 0.001354
C -8.580560 -1.404691 -0.000013
C -7.322610 -0.727679 -0.001250
C -7.322630 0.727714 -0.001199
C -8.580605 1.404705 0.000124
C -6.128501 1.403297 -0.002377
C -6.128449 -1.403227 -0.002439
C -4.880835 -0.726086 -0.003379
C -4.880855 0.726167 -0.003368
C -3.676992 1.402098 -0.004150
C -3.676923 -1.401990 -0.004159
C -2.440378 0.724879 -0.004671
C -2.440394 -0.724788 -0.004648
C -1.225502 1.401359 -0.004953
C -1.225493 -1.401256 -0.004881
C -0.000709 0.724431 -0.005001
C -0.000738 -0.724315 -0.004962
C 1.226000 1.401436 -0.004872
C 1.225983 -1.401343 -0.004808
C 2.439099 0.725064 -0.004481
C 2.439080 -0.724987 -0.004450
C 3.677456 1.402276 -0.003909
C 3.677435 -1.402222 -0.003845
C 4.879967 0.726456 -0.003067
C 4.879954 -0.726424 -0.003028
C 6.128939 -1.403497 -0.002017
C 6.128959 1.403509 -0.002100
C 7.322260 -0.728071 -0.000929
C 7.322271 0.728065 -0.000971
C 8.580951 -1.404836 0.000320
C 8.580969 1.404814 0.000246
C 9.765724 -0.729500 0.001539
C 9.765735 0.729463 0.001513
C 11.034647 -1.405988 0.002872
C 11.034667 1.405933 0.002909
C 12.210326 -0.731654 0.004125
C 12.210336 0.731584 0.004322
C 13.494496 -1.411691 0.005738
C 13.494518 1.411602 0.005540
C 14.646266 -0.725382 0.006950
C 14.646277 0.725275 0.006839
H 15.587497 1.240125 0.007835
H -8.579313 -2.479113 -0.000167
H -11.032662 -2.480474 0.002664
H -15.587240 -1.240265 0.008459
H -13.493377 -2.485453 0.005768
H -13.493461 2.485320 0.005991
H -15.587281 1.240063 0.008530
H -11.032743 2.480421 0.002914
H -8.579368 2.479127 0.000094
H -6.127580 2.477690 -0.002545
H -6.127508 -2.477618 -0.002663
H -3.676327 2.476468 -0.004402
H -3.676265 -2.476362 -0.004456
H -1.225304 -2.475612 -0.004977
H -1.225297 2.475710 -0.005095
H 1.225525 -2.475692 -0.005007
H 1.225574 2.475786 -0.005111
H 3.676510 -2.476582 -0.004066
H 3.676558 2.476636 -0.004181
H 6.127846 -2.477878 -0.002119
H 6.127882 2.477890 -0.002269
H 8.579877 -2.479251 0.000279
H 8.579905 2.479229 0.000174
H 11.033212 -2.480522 0.002846
H 11.033245 2.480467 0.002827
H 13.493775 -2.485483 0.005784
H 13.493817 2.485394 0.005487
H 15.587480 -1.240244 0.008048


HF/6-31G**

C -14.625409 0.728656 0.000117
C -13.481265 1.414083 0.000092
C -12.191798 0.734524 0.000062
C -12.191797 -0.734525 0.000064
C -13.481265 -1.414085 0.000096
C -14.625409 -0.728658 0.00012
C -11.025376 1.408779 0.000034
C -11.025375 -1.40878 0.000039
C -9.749301 -0.732126 0.000013
C -9.749302 0.732127 0.000011
C -8.574783 1.407232 -0.000013
C -7.308483 0.729809 -0.000035
C -7.308483 -0.729809 -0.000034
C -8.574783 -1.407232 -0.000009
C -6.125208 -1.404997 -0.000053
C -6.125208 1.404998 -0.000056
C -4.869981 0.726799 -0.000072
C -4.869981 -0.726798 -0.00007
C -3.675418 -1.402515 -0.000082
C -3.675419 1.402515 -0.000084
C -2.434273 -0.724031 -0.000091
C -2.434272 0.724031 -0.000092
C -1.225033 -1.400808 -0.000094
C -1.225034 1.400809 -0.000095
C -0.000512 -0.72295 -0.000094
C -0.000512 0.722952 -0.000095
C 1.225625 -1.400912 -0.000089
C 1.225625 1.400914 -0.00009
C 2.433376 -0.72427 -0.000081
C 2.433377 0.724271 -0.000081
C 3.675916 -1.402753 -0.000067
C 3.675916 1.402754 -0.000069
C 4.869375 -0.727122 -0.00005
C 4.869375 0.727122 -0.000052
C 6.125578 1.405241 -0.00003
C 6.125578 -1.405241 -0.000031
C 7.308168 0.730078 -0.000008
C 7.308168 -0.730078 -0.000009
C 8.575042 1.407409 0.000015
C 8.575041 -1.407409 0.000019
C 9.749195 0.732304 0.00004
C 9.749195 -0.732305 0.000045
C 11.025552 1.408884 0.000072
C 11.025552 -1.408884 0.000069
C 12.191812 0.734624 0.0001
C 12.191812 -0.734625 0.000094
C 13.481387 1.414139 0.000126
C 13.481387 -1.41414 0.000127
C 14.625473 0.728701 0.000152
C 14.625473 -0.728702 0.000153
H 15.569329 1.244363 0.000176
H 15.569329 -1.244365 0.000172
H -8.57528 2.483642 -0.000016
H -11.026028 2.485315 0.000032
H -15.569246 1.244354 0.000136
H -13.483417 2.490142 0.000089
H -13.483415 -2.490144 0.000097
H -15.569245 -1.244356 0.00014
H -11.026027 -2.485316 0.00004
H -8.57528 -2.483642 -0.000009
H -6.125328 -2.481373 -0.000055
H -6.125328 2.481374 -0.000061
H -3.675323 -2.478883 -0.000086
H -3.675323 2.478884 -0.00009
H -1.224985 2.47718 -0.000098
H -1.224984 -2.477179 -0.000096
H 1.2255 2.477284 -0.000094
H 1.225499 -2.477283 -0.000092
H 3.675791 2.479122 -0.000073
H 3.67579 -2.479121 -0.000071
H 6.12571 2.481616 -0.000034
H 6.125709 -2.481616 -0.000033
H 8.575555 2.483818 0.000015
H 8.575555 -2.483818 0.000018
H 11.026219 2.485419 0.000069
H 11.026219 -2.48542 0.00007
H 13.483552 2.490198 0.000129
H 13.483552 -2.490199 0.000124