polyacenes(n=6)


HF/6-31G

C -7.306861 0.722572 0.000001
C -6.151328 1.408493 0
C -4.873793 0.725992 0
C -4.873793 -0.725992 0
C -6.151328 -1.408493 0.000003
C -7.306861 -0.722572 0.000003
C -3.687753 1.400784 -0.000001
C -3.687753 -1.400784 0
C -2.43553 -0.721579 -0.000001
C -2.43553 0.721579 -0.000001
C -1.22906 1.398403 -0.000001
C 0 0.720066 -0.000001
C 0 -0.720066 -0.000001
C -1.22906 -1.398403 -0.000001
C 1.22906 -1.398403 -0.000002
C 1.22906 1.398403 -0.000001
C 2.43553 0.721579 -0.000001
C 2.43553 -0.721579 -0.000001
C 3.687753 -1.400784 -0.000001
C 3.687753 1.400784 0
C 4.873793 -0.725992 0
C 4.873793 0.725992 0.000001
C 6.151328 -1.408493 0
C 6.151328 1.408493 0.000003
C 7.306861 -0.722572 0.000001
C 7.306861 0.722572 0.000003
H 8.247076 1.239311 0.000004
H -1.228315 2.47297 -0.000002
H -3.685701 2.475394 -0.000002
H -8.247076 1.239311 0
H -6.149447 2.482325 -0.000001
H -6.149447 -2.482325 0.000004
H -8.247076 -1.239311 0.000004
H -3.685701 -2.475394 0.000001
H -1.228315 -2.47297 -0.000001
H 1.228315 -2.47297 -0.000002
H 1.228315 2.47297 -0.000001
H 3.685701 -2.475394 -0.000002
H 3.685701 2.475394 0.000001
H 6.149447 2.482325 0.000004
H 6.149447 -2.482325 -0.000001
H 8.247076 -1.239311 0.000001


HF/6-31G**

C 7.294764 0.72494 0
C 6.146042 1.409508 0
C 4.865081 0.726839 0
C 4.865081 -0.726839 0
C 6.146042 -1.409508 0
C 7.294764 -0.72494 0
C 3.685497 1.40113 0
C 3.685497 -1.40113 0
C 2.430612 -0.721029 0
C 2.430612 0.721029 0
C 1.228456 1.397756 0
C 0 0.71873 0
C 0 -0.71873 0
C 1.228456 -1.397756 0
C -1.228456 -1.397756 0
C -1.228456 1.397756 0
C -2.430612 0.721029 0
C -2.430612 -0.721029 0
C -3.685497 -1.40113 0
C -3.685497 1.40113 0
C -4.865081 -0.726839 0
C -4.865081 0.726839 0
C -6.146042 -1.409508 0
C -6.146042 1.409508 0
C -7.294764 -0.72494 0
C -7.294764 0.72494 0
H -8.237134 1.244006 0
H 1.228465 2.474433 0
H 3.685604 2.477885 0
H 8.237134 1.244006 0
H 6.147724 2.485776 0
H 6.147724 -2.485776 0
H 8.237134 -1.244006 0
H 3.685604 -2.477885 0
H 1.228465 -2.474433 0
H -1.228465 -2.474433 0
H -1.228465 2.474433 0
H -3.685604 -2.477885 0
H -3.685604 2.477885 0
H -6.147724 2.485776 0
H -6.147724 -2.485776 0
H -8.237134 -1.244006 0