%chk=000210335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210335

0 1
S 6.853808 -0.342558 -1.127203
S 7.515239 -0.063429 0.799879
O -9.474479 0.474957 0.338193
O 6.424557 -1.090587 1.558003
O 8.791504 -0.673318 0.966838
O 7.201796 1.254574 1.231839
N 2.888985 0.421378 -0.638709
C -2.094415 0.386526 -0.183593
C -3.348803 -0.482651 -0.021728
C -0.819381 -0.467567 -0.201069
C -4.622723 0.372730 -0.002501
C 0.431676 0.403837 -0.366635
C -5.878417 -0.495140 0.157544
C 1.705165 -0.456882 -0.379227
C -7.146180 0.364043 0.178224
C -8.398797 -0.498815 0.335891
C 4.175943 -0.335222 -0.533340
C 5.265438 0.549646 -1.135636
C -10.778623 -0.112582 0.475767
H -2.041217 1.127312 0.637604
H -2.164164 0.977714 -1.117492
H -3.403707 -1.221087 -0.844858
H -3.278951 -1.074900 0.911015
H -0.875276 -1.207330 -1.023461
H -0.749940 -1.057683 0.733183
H -4.692450 0.966649 -0.934623
H -4.568785 1.111615 0.820580
H 0.481672 1.153958 0.445707
H 0.370046 0.986396 -1.308887
H -5.933408 -1.231103 -0.668183
H -5.808108 -1.088478 1.089980
H 1.649769 -1.202105 -1.204389
H 1.788776 -1.032156 0.568150
H -7.230650 0.966119 -0.748942
H -7.107113 1.106322 1.000894
H 2.895260 1.201036 0.029876
H -8.413269 -1.055346 1.287782
H -8.542980 -1.194863 -0.507168
H 4.429819 -0.629500 0.513090
H 4.085640 -1.283794 -1.111188
H 5.037321 0.792143 -2.197692
H 5.354612 1.524450 -0.612148
H -11.439418 0.763179 0.455919
H -10.867340 -0.639936 1.429847
H -10.995039 -0.776935 -0.365693
H 6.780306 -1.706315 2.220262


%chk=000210335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210335

0 1
S 6.825070 -0.456460 -1.491506
S 7.986223 0.284162 0.578514
O -9.727698 0.642131 0.215629
O 7.915593 -1.349016 1.473237
O 9.547683 0.684380 0.436722
O 6.983060 1.313868 1.337289
N 2.894671 0.132095 -0.368941
C -2.162453 0.322422 -0.053896
C -3.476884 -0.485412 0.033515
C -0.901262 -0.570022 -0.079059
C -4.739613 0.404688 0.053900
C 0.409654 0.238864 -0.199817
C -6.054490 -0.404482 0.122211
C 1.659694 -0.661624 -0.236091
C -7.311092 0.495239 0.140006
C -8.611718 -0.310633 0.201624
C 4.162639 -0.584045 -0.543580
C 5.218856 0.402982 -1.077597
C -11.024403 -0.025751 0.276581
H -2.102649 1.020285 0.807279
H -2.181767 0.954794 -0.965833
H -3.534733 -1.183016 -0.828318
H -3.459359 -1.118734 0.945190
H -0.974135 -1.278566 -0.930528
H -0.872780 -1.189998 0.841149
H -4.751757 1.045311 -0.852367
H -4.689516 1.094925 0.921603
H 0.485367 0.941974 0.656828
H 0.389470 0.857452 -1.118063
H -6.102322 -1.094287 -0.746579
H -6.041753 -1.045213 1.028897
H 1.600995 -1.345443 -1.106499
H 1.675513 -1.309367 0.675118
H -7.333697 1.133196 -0.764695
H -7.277388 1.177460 1.011440
H 2.949369 0.929198 0.277690
H -8.639636 -0.943266 1.119289
H -8.698506 -0.985661 -0.681531
H 4.549828 -1.063265 0.385447
H 4.000118 -1.394406 -1.279782
H 4.873062 0.921548 -1.990906
H 5.453135 1.173216 -0.312260
H -11.785537 0.770526 0.282897
H -11.126639 -0.638642 1.198676
H -11.188635 -0.683482 -0.604768
H 8.644119 -1.335625 2.163583


