%chk=000218762.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218762

0 1
S -6.895334 -1.160588 -0.775877
S -7.547836 -0.579348 1.087104
O 1.645930 1.062941 -0.498136
O -7.899816 1.015217 0.717237
O -8.797879 -1.199825 1.370682
O -6.451760 -0.556336 1.995237
N -3.080110 0.254202 -0.632896
N 3.382154 -0.391354 0.102667
C -0.641803 0.600920 -0.538366
C -1.790216 -0.352086 -0.178174
C 0.704557 -0.038842 -0.221212
C -4.257276 -0.579394 -0.231733
C -5.443859 -0.097481 -1.063906
C 2.970525 0.811854 -0.316792
C 5.682305 0.478682 -0.000985
C 4.754647 -0.570312 0.265681
C 3.830885 1.930194 -0.611080
C 5.175190 1.744589 -0.448001
C 7.073930 0.230942 0.185836
C 5.229805 -1.844508 0.712785
C 7.509840 -0.999446 0.615832
C 6.577493 -2.044222 0.880785
H -0.691357 0.871654 -1.615358
H -0.734869 1.563796 0.004430
H -1.662819 -1.320550 -0.713956
H -1.774142 -0.580470 0.910388
H 0.961278 -0.885491 -0.880108
H 0.822274 -0.331908 0.835787
H -3.178323 1.196406 -0.235635
H -4.482165 -0.521739 0.861412
H -4.039550 -1.649476 -0.452647
H -5.215657 -0.165769 -2.152147
H -5.691876 0.965492 -0.870352
H 3.387339 2.863421 -0.946564
H 5.882304 2.549965 -0.653427
H 7.781087 1.034208 -0.018658
H 4.499151 -2.629437 0.909475
H 8.570410 -1.196048 0.760732
H 6.956704 -3.008354 1.220614
H -8.773659 1.351599 0.978726


%chk=000218762-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218762

0 1
S -6.885236 -1.302814 -0.785578
S -7.981007 -0.027747 1.035775
O 1.758554 1.146349 -0.518233
O -9.500004 0.466258 0.085631
O -8.474645 -0.883564 2.316838
O -7.071429 1.294170 1.293721
N -3.015454 0.095101 -0.373989
N 3.507957 -0.327465 0.070619
C -0.585402 0.592052 -0.458791
C -1.670775 -0.447302 -0.113076
C 0.818160 0.048008 -0.184878
C -4.164131 -0.793415 -0.167883
C -5.392233 -0.182064 -0.871129
C 3.113308 0.875595 -0.358857
C 5.853948 0.475501 -0.085866
C 4.874835 -0.548577 0.213610
C 3.999131 1.961146 -0.684666
C 5.364414 1.748965 -0.543760
C 7.243861 0.186864 0.081901
C 5.322295 -1.826499 0.670063
C 7.657951 -1.071945 0.530323
C 6.689717 -2.081841 0.825052
H -0.676169 0.878587 -1.521820
H -0.736543 1.509773 0.143615
H -1.540662 -1.352732 -0.739159
H -1.549744 -0.774864 0.949321
H 1.058146 -0.833697 -0.808299
H 0.961568 -0.238337 0.874269
H -3.155822 1.046145 -0.010022
H -4.410841 -0.977319 0.904015
H -3.924387 -1.776907 -0.615658
H -5.194330 0.026157 -1.938140
H -5.683332 0.773514 -0.384827
H 3.578631 2.908951 -1.028626
H 6.077323 2.547258 -0.779695
H 7.981634 0.965920 -0.145915
H 4.566312 -2.586508 0.890533
H 8.723926 -1.289051 0.657205
H 7.024776 -3.064452 1.175454
H -10.216801 0.663880 0.760322


