polyacenes(n=8)


HF/6-31G

C -9.753048 0.724105 0.00036
C -8.599691 1.410223 0.000048
C -7.318357 0.729041 0.000363
C -7.318357 -0.729042 0.000065
C -8.59969 -1.410225 0.000603
C -9.753048 -0.724107 0.000563
C -6.138144 1.403459 0.000183
C -6.138144 -1.403459 0.000043
C -4.876721 -0.725543 -0.000001
C -4.876721 0.725543 0.000008
C -3.682217 1.401282 -0.000102
C -2.43756 0.723257 -0.000198
C -2.43756 -0.723256 -0.000198
C -3.682217 -1.401281 -0.000088
C -1.227369 -1.399806 -0.000292
C -1.227369 1.399808 -0.000285
C 0.000046 0.722273 -0.00037
C 0.000046 -0.722271 -0.000373
C 1.227293 -1.399793 -0.000438
C 1.227294 1.399794 -0.00043
C 2.437654 -0.723195 -0.000566
C 2.437654 0.723195 -0.000563
C 3.682158 -1.401247 -0.000605
C 3.682156 1.401246 -0.000574
C 4.876799 -0.725504 -0.000242
C 4.876798 0.725504 -0.000236
C 6.138115 -1.403435 0.000057
C 6.138115 1.403435 -0.00003
C 7.31839 -0.729013 0.000388
C 7.318389 0.729013 0.000188
C 8.599656 -1.410216 0.000225
C 8.599656 1.410215 0.000674
C 9.753025 -0.724086 0.000634
C 9.753025 0.724085 0.000831
H 10.693762 -1.239846 0.00076
H -3.681043 2.475748 -0.00009
H -6.13638 2.478015 0.000121
H -10.693798 1.239841 0.000352
H -8.598516 2.484028 -0.000162
H -8.598515 -2.48403 0.000836
H -10.693798 -1.239843 0.000782
H -6.136378 -2.478015 0.000101
H -3.681042 -2.475747 -0.000104
H -1.226896 -2.474254 -0.000291
H -1.226897 2.474256 -0.00028
H 1.226845 -2.474237 -0.000429
H 1.226846 2.474238 -0.000409
H 3.680989 2.475707 -0.000516
H 3.680992 -2.475708 -0.000563
H 6.13637 2.477992 -0.000042
H 6.13637 -2.477992 -0.00004
H 8.598494 2.48402 0.000879
H 8.598494 -2.484021 0.000095
H 10.693762 1.239845 0.00114


HF/6-31G**

C -9.737614 -0.72722 0.000023
C -8.59151 -1.41224 0.000013
C -7.305472 -0.731238 0.000023
C -7.305472 0.731238 0.000017
C -8.59151 1.41224 0.000036
C -9.737614 0.72722 0.000036
C -6.133626 -1.405371 0.000017
C -6.133626 1.405371 0.000013
C -4.866831 0.726581 0.000014
C -4.866831 -0.726581 0.000006
C -3.680109 -1.402052 0.000005
C -2.432012 -0.722683 0.000003
C -2.432012 0.722683 -0.000003
C -3.680109 1.402052 0.000006
C -1.226799 1.399471 -0.000011
C -1.226799 -1.399471 -0.000001
C 0.000033 -0.720907 -0.000007
C 0.000033 0.720907 -0.00001
C 1.226756 1.399461 -0.000011
C 1.226756 -1.399461 -0.000007
C 2.432067 0.722663 -0.000014
C 2.432067 -0.722663 -0.000012
C 3.680076 1.402032 -0.000027
C 3.680076 -1.402032 -0.000015
C 4.866861 0.726555 -0.000023
C 4.866861 -0.726555 -0.000012
C 6.133605 1.405355 -0.000008
C 6.133605 -1.405355 0
C 7.305482 0.73122 -0.000005
C 7.305482 -0.73122 -0.000004
C 8.591499 1.41223 -0.000029
C 8.591499 -1.41223 0
C 9.737614 0.727212 -0.000019
C 9.737614 -0.727212 -0.000001
H 10.680826 1.244123 -0.000018
H -3.679968 -2.478539 0.000009
H -6.133674 -2.481959 0.000012
H -10.68083 -1.244124 0.000021
H -8.593137 -2.488338 0.000002
H -8.593137 2.488338 0.000047
H -10.68083 1.244124 0.00005
H -6.133674 2.481959 0.000018
H -3.679968 2.478539 0.000001
H -1.226656 2.475947 -0.000011
H -1.226656 -2.475947 0.000002
H 1.226625 2.475937 -0.000017
H 1.226625 -2.475937 -0.000006
H 3.67994 -2.478519 -0.000016
H 3.67994 2.478519 -0.000032
H 6.133652 -2.481943 0.000005
H 6.133653 2.481943 -0.00002
H 8.593122 -2.488328 0.000018
H 8.593123 2.488328 -0.000036
H 10.680826 -1.244123 0.000016