polyacenes(n=4)


HF/6-31G

C 4.861438 0.718747 0.000026
C 3.700833 1.404168 0.000018
C 2.432312 0.719268 0.000008
C 2.432312 -0.719264 -0.00003
C 3.700834 -1.404164 -0.000012
C 4.861439 -0.718742 0.000015
C 1.232496 1.395579 0.000039
C 1.232498 -1.395576 -0.000072
C -0.000015 -0.715381 -0.000036
C -0.000016 0.715384 -0.000027
C -1.232532 1.395597 -0.000042
C -2.432332 0.719278 0.00012
C -2.432323 -0.719271 -0.000012
C -1.232527 -1.395598 -0.000042
C -3.700794 -1.40418 -0.000008
C -4.861379 -0.718728 0.000113
C -4.861427 0.718698 -0.000193
C -3.700855 1.404191 0.000066
H -3.698289 2.478053 0.000134
H -1.231044 2.470239 0.000025
H 1.231078 2.470219 0.000058
H 5.80003 1.238509 0.000045
H 3.698267 2.478028 0.000023
H 3.698267 -2.478023 -0.000009
H 5.80003 -1.238504 0.000032
H 1.23108 -2.470216 -0.000088
H -1.231043 -2.47024 -0.000169
H -5.799959 -1.23852 0.000414
H -3.69817 -2.478036 0.000536
H -5.800027 1.238453 -0.000581


HF/6-31G**

C 4.85355 -0.720505 0.000022
C 3.698745 -1.404395 0.000028
C 2.42797 -0.718945 0.000012
C 2.427969 0.718945 -0.000004
C 3.698744 1.404395 -0.000009
C 4.85355 0.720505 0.000004
C 1.232229 -1.394854 0.000014
C 1.232229 1.394854 -0.000017
C 0.000001 0.714024 -0.000014
C 0.000001 -0.714025 0.000005
C -1.232229 -1.394853 0.000016
C -2.427969 -0.718945 0.000009
C -2.427969 0.718946 -0.000021
C -1.232229 1.394852 -0.000031
C -3.698746 1.404395 -0.000029
C -4.853552 0.720505 -0.000023
C -4.85355 -0.720506 0.000009
C -3.698744 -1.404394 0.000027
H -3.698807 -2.480671 0.000044
H -1.231606 -2.471672 0.000034
H 1.231605 -2.471673 0.000029
H 5.794224 -1.242515 0.00003
H 3.698807 -2.480672 0.000039
H 3.698806 2.480672 -0.00002
H 5.794223 1.242515 0.000001
H 1.231605 2.471673 -0.00003
H -1.231605 2.471671 -0.000055
H -5.794224 1.242517 -0.000027
H -3.698811 2.480672 -0.00003
H -5.794221 -1.24252 -0.000003