%chk=000291520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291520

0 1
S 2.544716 1.290582 0.776540
S -4.153555 -1.805778 -0.054740
O 2.178410 2.693054 0.734398
O 2.031086 0.424406 1.813136
O -5.407464 -2.242609 -0.636564
O -3.499435 -2.656805 0.919363
N 2.087263 0.617199 -0.755024
N -3.104738 -1.639161 -1.417435
C 0.570957 -1.291968 -0.586551
C -0.723472 -1.884672 -0.772977
C 1.709153 -2.106886 -0.039205
C 0.761131 0.051448 -0.877405
C -1.775356 -1.107910 -1.237330
C -0.938719 -3.336512 -0.447913
C -0.322212 0.878169 -1.351587
C -1.588476 0.283473 -1.571890
C 1.511598 -3.594729 -0.088438
C 0.306033 -4.144311 -0.276014
C -0.165423 2.279841 -1.596025
C -2.644971 1.081126 -2.117084
C 2.750877 -4.412114 0.102425
C -1.202144 3.026382 -2.098283
C -2.455208 2.414310 -2.381353
C 4.268785 1.168443 0.698497
C -4.290739 -0.206258 0.566870
C 5.031903 2.307306 0.419047
C 4.896846 -0.058203 0.933428
C -5.383829 0.587877 0.201578
C -3.315709 0.295100 1.435959
C 6.425168 2.216816 0.361448
C 6.291068 -0.150659 0.875633
C -5.498595 1.887777 0.700042
C -3.428200 1.597548 1.932511
C 7.053359 0.986658 0.588103
C -4.517568 2.392548 1.562424
H 1.861992 -1.796780 1.028895
H 2.648735 -1.838016 -0.572362
H -1.544426 -3.403180 0.501703
H -1.574288 -3.816108 -1.223785
H 0.155493 -5.221421 -0.297138
H 2.331151 1.165516 -1.594726
H -3.172878 -2.318675 -2.184745
H 0.778569 2.768062 -1.345281
H -3.605450 0.605752 -2.324032
H 2.537477 -5.487804 0.160590
H 3.270773 -4.139367 1.030343
H 3.452797 -4.268289 -0.729943
H -1.083158 4.093456 -2.280097
H -3.255653 3.020973 -2.800606
H 4.538968 3.273163 0.254934
H 4.303236 -0.946772 1.171014
H -6.153263 0.188536 -0.468993
H -2.464248 -0.327579 1.734160
H 7.020585 3.102856 0.144802
H 6.781858 -1.105697 1.058263
H -6.348810 2.506604 0.418526
H -2.662915 1.991139 2.601838
H 8.141235 0.915376 0.543498
H -4.603519 3.409666 1.947258


%chk=000291520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291520

0 1
S 3.283561 1.510847 0.668386
S -3.889906 -1.502004 0.681551
O 3.451898 3.136093 0.473532
O 2.516277 0.866839 1.963128
O -4.764002 -2.878656 0.514707
O -2.815336 -1.312013 1.905180
N 2.326820 0.848297 -1.205221
N -2.849929 -1.351641 -1.252058
C 0.868594 -1.025912 -0.777174
C -0.414201 -1.617483 -0.820506
C 2.105049 -1.830131 -0.432537
C 1.031649 0.376144 -1.053150
C -1.571666 -0.817955 -1.124776
C -0.597024 -3.103874 -0.550365
C -0.142348 1.232152 -1.232284
C -1.441683 0.623728 -1.303984
C 1.924050 -3.334832 -0.427196
C 0.689431 -3.894986 -0.469920
C -0.037175 2.653674 -1.330219
C -2.585144 1.441662 -1.548816
C 3.194386 -4.154729 -0.339705
C -1.176236 3.441659 -1.539472
C -2.456167 2.829757 -1.671098
C 5.020744 0.765394 0.617312
C -5.094814 -0.051813 0.765506
C 6.005766 1.445778 -0.117294
C 5.255336 -0.419358 1.333728
C -6.328865 -0.182123 0.107108
C -4.709603 1.078272 1.504970
C 7.306273 0.890324 -0.139819
C 6.563218 -0.956138 1.301662
C -7.231654 0.903120 0.195482
C -5.628964 2.149891 1.582578
C 7.580565 -0.307227 0.562555
C -6.880322 2.062971 0.927042
H 2.452508 -1.508698 0.574461
H 2.924457 -1.528384 -1.116375
H -1.173060 -3.221372 0.394476
H -1.234741 -3.562215 -1.337181
H 0.584396 -4.987285 -0.438276
H 2.345835 1.818166 -1.584329
H -2.842207 -2.389838 -1.334672
H 0.930879 3.151317 -1.199937
H -3.556953 0.952013 -1.653190
H 2.980787 -5.235856 -0.283526
H 3.788198 -3.875610 0.554034
H 3.845025 -3.976089 -1.218661
H -1.081389 4.531077 -1.597128
H -3.339902 3.448668 -1.859004
H 5.771597 2.385406 -0.627397
H 4.454839 -0.883169 1.919765
H -6.580711 -1.101586 -0.430586
H -3.738530 1.107396 2.009744
H 8.100449 1.395368 -0.699357
H 6.785035 -1.872840 1.857921
H -8.205657 0.838141 -0.300536
H -5.366646 3.044946 2.155973
H 8.590809 -0.729956 0.541929
H -7.586793 2.897572 0.992722


