%chk=000290758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290758

0 1
S 0.368906 1.802303 2.489796
O 1.831418 1.184048 0.453596
O -2.255592 1.208864 -1.837877
O -0.428254 -0.584656 2.507489
O 2.793636 3.129100 -0.292140
O -2.053632 3.472138 -1.470322
O -2.008025 0.846614 1.674474
O 5.757645 -3.609392 1.160746
O 7.143191 -2.194595 0.291277
N -0.408851 1.952929 -0.789802
N 6.037632 -2.513868 0.698502
C 0.348298 2.953587 -0.011004
C -0.157546 3.162854 1.417110
C 1.818742 2.500767 -0.002106
C -1.633360 2.341202 -1.353398
C -3.556780 1.408824 -2.485756
C -4.612455 0.747961 -1.646531
C 2.952377 0.360333 0.478293
C -1.233565 -1.782613 2.193340
C -0.922881 -2.192797 0.784603
C 2.660661 -0.902227 1.033162
C 4.221730 0.709954 0.007030
C -0.926041 0.616055 2.142581
C -5.687476 0.111884 -2.286642
C -4.552306 0.781459 -0.247437
C 4.963921 -1.509287 0.625671
C 3.678966 -1.840779 1.103727
C 5.237113 -0.242154 0.083831
C -1.523849 -1.517848 -0.288492
C -0.017182 -3.234245 0.536099
C -6.698445 -0.480325 -1.525721
C -5.564604 0.182493 0.507961
C -6.638847 -0.446577 -0.128281
C -1.208449 -1.873957 -1.601630
C 0.285446 -3.594634 -0.780285
C -0.305300 -2.912984 -1.849448
H 0.294019 3.944655 -0.566321
H -1.267591 3.280103 1.425006
H 0.243634 4.102477 1.854973
H -0.256440 0.961308 -0.565043
H -3.406947 0.924258 -3.468895
H -3.754585 2.493655 -2.620133
H -0.869493 -2.486757 2.964500
H -2.302932 -1.554132 2.356481
H 1.649473 -1.116021 1.396854
H 4.420004 1.703457 -0.407310
H -5.740553 0.078386 -3.373045
H -3.712329 1.267084 0.256385
H 3.500281 -2.836609 1.525853
H 6.247572 -0.010736 -0.275482
H -2.243295 -0.711381 -0.105560
H 0.450369 -3.766181 1.363210
H -7.534136 -0.970568 -2.022824
H -5.513734 0.211244 1.595691
H -7.427864 -0.909245 0.461669
H -1.671032 -1.332964 -2.428806
H 0.985369 -4.407168 -0.972993
H -0.062535 -3.192098 -2.874028


%chk=000290758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290758

0 1
S 0.294218 1.761780 2.827066
O 2.042128 1.144993 -0.151934
O -2.234459 1.409014 -1.717430
O -1.019057 -0.495101 2.999510
O 2.881850 3.230386 0.561931
O -2.017138 3.641996 -0.958628
O -2.204321 1.139259 1.802801
O 6.303461 -3.572065 -0.260893
O 7.735120 -1.803773 -0.087928
N -0.374991 2.025335 -0.562562
N 6.548648 -2.306936 -0.167402
C 0.470441 2.945615 0.191222
C -0.018785 3.207595 1.651011
C 1.935890 2.501798 0.215597
C -1.578047 2.465259 -1.062395
C -3.568707 1.738513 -2.308826
C -4.640174 0.852258 -1.711347
C 3.234835 0.370540 -0.122583
C -1.982899 -1.583509 2.538649
C -1.434952 -2.234073 1.290153
C 2.998193 -1.020989 -0.220841
C 4.544040 0.903664 -0.036475
C -1.206708 0.754975 2.445047
C -5.472218 0.074248 -2.552877
C -4.846577 0.817436 -0.307498
C 5.395259 -1.376389 -0.151272
C 4.087653 -1.906591 -0.235197
C 5.633709 0.010801 -0.051755
C -1.795161 -1.742143 0.007954
C -0.522070 -3.315661 1.388338
C -6.508212 -0.718079 -2.006254
C -5.876415 0.021079 0.238111
C -6.713398 -0.745550 -0.608409
C -1.239599 -2.317879 -1.156715
C 0.028173 -3.896082 0.223754
C -0.328058 -3.395665 -1.052017
H 0.436904 3.934004 -0.308846
H -1.099462 3.419910 1.637773
H 0.531456 4.054698 2.090561
H -0.113407 1.042679 -0.648615
H -3.468013 1.575864 -3.395277
H -3.757039 2.810278 -2.111122
H -2.001785 -2.261976 3.404371
H -2.969594 -1.117911 2.378792
H 1.969773 -1.389725 -0.276586
H 4.705874 1.977955 0.050853
H -5.313401 0.089272 -3.638535
H -4.196708 1.400246 0.354041
H 3.946059 -2.987559 -0.306599
H 6.662074 0.375370 0.012635
H -2.504251 -0.912470 -0.083082
H -0.239560 -3.698414 2.376512
H -7.148189 -1.312975 -2.667414
H -6.032789 0.004583 1.322788
H -7.515154 -1.358984 -0.182225
H -1.527227 -1.929343 -2.139448
H 0.723354 -4.738800 0.308499
H 0.092907 -3.849564 -1.956385


