%chk=000183178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183178

0 1
C 1.080684 -0.479233 -0.000020
C 1.373294 0.932858 0.000053
C -1.270492 0.139084 -0.000011
C -0.233984 -0.884286 -0.000106
C 0.413969 1.943669 -0.000025
C -0.964999 1.516994 0.000016
C 2.795684 1.178598 -0.000005
C 2.391836 -1.157610 -0.000073
C -2.654216 -0.279393 0.000109
C 3.432534 -0.152560 -0.000017
C -2.998717 -1.668497 0.000063
C -3.690955 0.689293 0.000335
C -0.630321 -2.285741 -0.000326
C -2.037009 2.479775 0.000146
C 0.916800 3.285169 -0.000174
C 3.243858 2.472444 -0.000186
C -1.927062 -2.657621 -0.000278
C -3.340360 2.088304 0.000321
C 2.722169 -2.499935 -0.000161
C 4.764029 -0.520360 0.000052
C 2.273963 3.525768 -0.000245
C -4.338112 -2.051444 0.000331
C -5.043672 0.268459 0.000580
C 4.085341 -2.862816 -0.000093
C 5.084329 -1.895016 0.000017
C -5.357184 -1.080225 0.000594
H 0.177202 -3.023861 -0.000560
H -1.771821 3.537951 0.000108
H 0.208196 4.111988 -0.000229
H 4.302060 2.719210 -0.000289
H -2.217995 -3.708298 -0.000534
H -4.148281 2.819575 0.000466
H 1.946630 -3.266366 -0.000303
H 5.554633 0.226140 0.000137
H 2.642490 4.551973 -0.000353
H -4.607613 -3.106511 0.000319
H -5.834143 1.017390 0.000764
H 4.350760 -3.919102 -0.000120
H 6.131632 -2.193458 0.000084
H -6.398355 -1.401707 0.000812


%chk=000183178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183178

0 1
C 1.103968 -0.489461 -0.000034
C 1.387622 0.916489 -0.000033
C -1.296441 0.126914 0.000101
C -0.249581 -0.903688 0.000024
C 0.414847 1.946172 0.000028
C -0.978297 1.536126 0.000109
C 2.800445 1.160052 -0.000118
C 2.421238 -1.178186 -0.000112
C -2.681705 -0.278354 0.000173
C 3.453682 -0.163194 -0.000160
C -3.040858 -1.676890 0.000160
C -3.734855 0.709344 0.000258
C -0.655956 -2.294288 0.000005
C -2.049267 2.495799 0.000196
C 0.914035 3.292057 0.000001
C 3.262882 2.479558 -0.000147
C -1.984899 -2.664914 0.000069
C -3.378712 2.102962 0.000268
C 2.799457 -2.539716 -0.000123
C 4.816372 -0.512170 -0.000227
C 2.297662 3.539729 -0.000084
C -4.407733 -2.053969 0.000231
C -5.097980 0.289718 0.000329
C 4.174000 -2.882783 -0.000189
C 5.175863 -1.882051 -0.000244
C -5.429990 -1.076512 0.000315
H 0.114232 -3.067047 -0.000071
H -1.805863 3.562519 0.000206
H 0.225167 4.142811 0.000044
H 4.332040 2.718870 -0.000210
H -2.264094 -3.725200 0.000053
H -4.179721 2.851271 0.000336
H 2.060146 -3.344651 -0.000069
H 5.593339 0.260554 -0.000267
H 2.653138 4.576289 -0.000105
H -4.667217 -3.119149 0.000218
H -5.887033 1.050760 0.000394
H 4.464299 -3.939361 -0.000197
H 6.233046 -2.169573 -0.000298
H -6.480474 -1.386235 0.000372


