%chk=000002648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000002648

-1 1
S -0.562476 -2.578049 -2.826492
S 1.176117 1.425993 0.152043
O 0.003652 -4.565884 1.197895
O 3.367967 -1.303003 -0.780319
O -3.494864 -4.811159 0.737769
O -3.956988 -2.718301 1.421741
O 1.454146 1.888065 -1.201125
O 0.957618 2.496497 1.163452
O 0.055815 0.438148 0.238232
O -3.464180 4.522550 0.739157
N -1.119331 -3.023548 -0.278943
N 1.572314 -1.768849 0.575850
N -3.922254 -0.220474 -0.728007
N -1.471229 3.696403 1.479045
C -0.237885 -2.145729 -1.105292
C 0.981276 -2.741927 -0.352545
C -0.039453 -3.686331 0.404291
C -2.490280 -2.985730 -0.415899
C -3.019222 -2.317912 -1.494525
C -2.352074 -2.158760 -2.820624
C -4.299461 -1.582733 -1.309815
C 2.597526 -0.909182 0.068947
C 2.615744 0.446241 0.738073
C -3.393808 -3.594800 0.720481
C 3.886072 1.201446 0.504432
C -3.879205 0.894032 -1.546951
C -3.523639 -0.131317 0.574770
C 4.665993 1.606745 1.599717
C 4.311368 1.509361 -0.799587
C -3.456934 2.118860 -1.045888
C -3.082344 1.090108 1.108331
C -3.052872 2.221998 0.300670
C 5.856818 2.308904 1.391205
C 5.502708 2.208001 -0.999662
C 6.279412 2.608834 0.093427
C -2.676661 3.586167 0.838794
H -0.402285 -1.038196 -0.936624
H 1.748837 -3.272220 -0.952112
H -2.454771 -1.130274 -3.213558
H -2.814855 -2.855722 -3.551687
H 0.840264 -1.298217 1.150027
H -4.869045 -1.432843 -2.246990
H -4.978421 -2.088658 -0.571571
H 2.473869 0.310266 1.843069
H -4.178352 0.777303 -2.594300
H -3.558716 -1.104133 1.207370
H 4.343560 1.382063 2.613649
H 3.694869 1.207188 -1.654265
H -3.433679 3.002643 -1.691080
H -2.743712 1.122210 2.150134
H 6.453498 2.621977 2.244106
H 5.824057 2.442556 -2.012167
H 7.205218 3.153125 -0.067115
H -1.157895 4.613307 1.771717
H -0.697727 2.986760 1.422447


%chk=000002648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002648

-1 1
S -0.449687 -2.726596 -3.055410
S 0.822634 0.642327 0.940973
O -0.100320 -4.896758 1.151014
O 3.299734 -1.521742 -1.116613
O -3.473404 -4.758216 0.713140
O -3.901323 -2.556302 1.400209
O 0.231329 0.682236 -0.597925
O 0.861658 2.136590 1.650652
O 0.084380 -0.496422 1.906532
O -3.001866 4.901760 0.239310
N -1.044074 -3.261749 -0.424935
N 1.756228 -2.280398 0.467662
N -3.744906 0.036116 -0.746702
N -1.144310 3.947453 1.292498
C -0.065999 -2.487965 -1.223253
C 1.086901 -3.212330 -0.449077
C -0.061771 -4.012411 0.282340
C -2.408513 -2.964652 -0.457091
C -2.847959 -2.146659 -1.488457
C -2.096802 -1.802575 -2.771281
C -4.120998 -1.358087 -1.282138
C 2.676165 -1.362845 -0.021320
C 2.821653 -0.130046 0.875282
C -3.335597 -3.487121 0.670116
C 3.754145 0.963813 0.521795
C -3.923942 1.157825 -1.521217
C -3.120134 0.105235 0.477446
C 4.320390 1.739523 1.572393
C 4.053482 1.311806 -0.826454
C -3.466291 2.402853 -1.083753
C -2.621914 1.337428 0.936117
C -2.774396 2.504292 0.150920
C 5.183593 2.817566 1.291342
C 4.915262 2.393156 -1.103099
C 5.486618 3.147665 -0.050760
C -2.303468 3.882637 0.573511
H -0.111839 -1.400019 -1.035725
H 1.805335 -3.793647 -1.043228
H -1.861432 -0.720772 -2.826964
H -2.714990 -2.067432 -3.652044
H 1.171619 -1.957845 1.268415
H -4.692558 -1.181184 -2.211688
H -4.754356 -1.823505 -0.508133
H 2.834588 -0.393848 1.945551
H -4.426208 1.012749 -2.480236
H -3.093738 -0.851348 1.039356
H 4.071403 1.495729 2.612113
H 3.621980 0.719863 -1.636215
H -3.624316 3.300828 -1.685549
H -2.106120 1.352159 1.899606
H 5.612000 3.403271 2.112769
H 5.140224 2.651283 -2.144469
H 6.155292 3.987686 -0.273982
H -0.838924 4.882876 1.568864
H -0.450357 3.159553 1.411486


