%chk=000230091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230091

0 1
S -0.215213 -1.233184 -0.740131
O -0.257342 -2.651844 -0.509726
O -0.438477 -0.714919 -2.075586
O -0.871273 -1.209760 2.146071
N -1.546512 -0.519391 0.205115
N -1.715539 -0.617119 1.533737
C -2.599003 0.257840 -0.525553
C -2.282134 1.760793 -0.507508
C -3.373557 2.552800 -1.240294
C 1.196064 -0.526675 -0.074144
C -3.083015 4.051320 -1.224336
C 1.805686 0.553111 -0.727541
C 1.765505 -1.040277 1.099006
C 3.539302 0.610688 0.968153
C 2.967772 1.122273 -0.211390
C 2.929061 -0.476661 1.618884
C 4.784152 1.207667 1.530591
H -3.593147 0.063643 -0.061585
H -2.649051 -0.118468 -1.576379
H -1.299450 1.949898 -0.982457
H -2.189785 2.118350 0.537113
H -4.360284 2.359739 -0.774445
H -3.455841 2.200312 -2.288361
H -3.867808 4.610935 -1.746751
H -3.027567 4.442963 -0.202042
H -2.132512 4.284779 -1.717917
H 1.370996 0.947988 -1.654298
H 1.289260 -1.885082 1.616516
H 3.435134 1.960730 -0.724608
H 3.364524 -0.879685 2.532237
H 5.143505 2.075579 0.961234
H 4.636076 1.544023 2.568504
H 5.605472 0.474031 1.548291


%chk=000230091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230091

0 1
S -0.056025 -1.315909 -0.748224
O -0.084031 -2.930618 -0.518902
O -0.218115 -0.698049 -2.261567
O -1.136138 -0.869664 2.389963
N -1.737527 -0.248470 0.280904
N -1.908515 -0.269398 1.568100
C -2.657810 0.447694 -0.642379
C -2.749246 1.967731 -0.383114
C -3.684508 2.653004 -1.404856
C 1.543515 -0.599884 -0.033465
C -3.808086 4.171871 -1.157771
C 2.277854 0.286263 -0.835587
C 1.937594 -0.998366 1.253953
C 3.942614 0.417001 0.981928
C 3.489246 0.791341 -0.309248
C 3.151589 -0.480564 1.751539
C 5.246790 0.957203 1.538706
H -3.655966 -0.026373 -0.583255
H -2.237927 0.249641 -1.649335
H -1.736720 2.411622 -0.444854
H -3.120271 2.138793 0.646182
H -4.689835 2.187527 -1.355585
H -3.304696 2.472799 -2.430413
H -4.482342 4.642433 -1.895876
H -4.212408 4.379518 -0.149491
H -2.823162 4.668978 -1.234678
H 1.921006 0.555067 -1.834966
H 1.318456 -1.677004 1.849664
H 4.087803 1.481571 -0.914213
H 3.486485 -0.774646 2.752890
H 5.720464 1.673138 0.846402
H 5.086900 1.472745 2.503711
H 5.968008 0.139402 1.724239


