%chk=000228933.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228933

0 1
S -4.375652 0.425661 1.468518
O 0.396669 0.599965 0.617395
O -0.042391 -1.525539 -0.088271
N 3.997286 -0.097237 -0.000555
N 6.733000 -0.991716 -0.371902
N -1.751522 0.072703 -0.000060
C 4.365618 -1.547006 0.122395
C 4.907039 0.574586 -0.985903
C 5.821895 -1.662745 0.613943
C 6.363475 0.457655 -0.491960
C 2.560945 0.059366 -0.389696
C 8.156785 -1.131861 0.056218
C 1.778496 0.213078 0.920570
C -0.430079 -0.402678 0.157366
C -2.116571 1.443194 0.283735
C -2.789800 -0.870958 -0.362865
C -3.326345 1.725339 0.939899
C -4.057654 -0.778155 0.235267
C -1.284446 2.501991 -0.119861
C -2.543868 -1.871663 -1.318414
C -3.706349 3.041248 1.204157
C -5.078511 -1.661360 -0.114925
C -1.662646 3.816838 0.158460
C -3.565135 -2.763393 -1.653900
C -2.866081 4.089903 0.818801
C -4.827584 -2.661828 -1.059089
H 4.249474 -2.102715 -0.834528
H 3.686100 -2.020649 0.862408
H 4.627009 1.647519 -1.046696
H 4.825416 0.146055 -2.008922
H 5.906341 -1.241574 1.639252
H 6.103577 -2.735717 0.671749
H 7.040387 0.927762 -1.236511
H 6.480172 1.015702 0.462543
H 2.154620 -0.795238 -0.977189
H 2.409679 0.962933 -1.017548
H 8.414955 -2.202643 0.092314
H 8.396992 -0.684727 1.031868
H 8.806402 -0.672266 -0.705990
H 2.106561 1.081900 1.521661
H 1.772467 -0.705355 1.529980
H -0.338999 2.297182 -0.625921
H -1.555790 -1.970515 -1.774588
H -4.650824 3.253223 1.708373
H -6.064867 -1.577016 0.344342
H -1.012226 4.637377 -0.145146
H -3.371721 -3.546260 -2.387955
H -3.150793 5.119331 1.029606
H -5.616306 -3.361298 -1.331126


%chk=000228933-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228933

0 1
S -4.157023 0.299227 1.803290
O 0.417157 0.749082 0.665630
O 0.049932 -1.485771 0.062670
N 4.080519 0.073404 0.001459
N 6.701158 -1.099813 -0.361282
N -1.705327 0.092847 0.024993
C 4.249618 -1.394332 -0.156901
C 5.147579 0.800002 -0.728495
C 5.629892 -1.829008 0.359123
C 6.528756 0.364419 -0.210086
C 2.708454 0.534841 -0.302016
C 8.050026 -1.550331 0.028950
C 1.837227 0.401071 0.961348
C -0.375810 -0.315251 0.227623
C -2.153598 1.458957 0.202673
C -2.705121 -0.909086 -0.287260
C -3.304901 1.707525 0.989599
C -3.916025 -0.917796 0.447517
C -1.513966 2.540641 -0.447397
C -2.508409 -1.857111 -1.317927
C -3.790735 3.021885 1.161035
C -4.920032 -1.868956 0.167145
C -1.984183 3.856646 -0.260978
C -3.501252 -2.823578 -1.583106
C -3.119266 4.101473 0.547786
C -4.706224 -2.833049 -0.842361
H 4.154594 -1.694242 -1.230257
H 3.459021 -1.917932 0.409516
H 5.019446 1.885709 -0.561169
H 5.102975 0.607054 -1.829586
H 5.676754 -1.644800 1.463307
H 5.762111 -2.913719 0.186557
H 7.318708 0.876313 -0.791679
H 6.625124 0.681248 0.860689
H 2.239894 -0.039221 -1.135987
H 2.742178 1.596832 -0.607205
H 8.150586 -2.633776 -0.163430
H 8.284189 -1.368069 1.109177
H 8.808914 -1.024026 -0.577881
H 2.140935 1.124473 1.732232
H 1.876251 -0.625546 1.362437
H -0.635629 2.345882 -1.068031
H -1.570912 -1.852230 -1.878492
H -4.688864 3.192959 1.763314
H -5.856502 -1.852658 0.734050
H -1.470377 4.689059 -0.753169
H -3.334351 -3.565941 -2.370489
H -3.489126 5.122552 0.687728
H -5.479162 -3.579462 -1.053369


