%chk=000210345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210345

0 1
S -7.474748 1.009581 -0.769903
S -8.132424 0.030058 0.914738
O 2.520952 0.149714 -0.094873
O -6.957192 0.596526 1.971325
O -9.356479 0.604408 1.362199
O -7.914728 -1.368231 0.774796
N -3.576581 -0.151109 -0.779766
C 6.258879 0.153705 -0.069883
C 6.706448 -1.193623 0.533342
C 7.186174 1.287296 0.417664
C 8.171543 -1.494236 0.188361
C 8.651575 0.989196 0.072760
C 9.097482 -0.360846 0.651510
C 4.800216 0.476345 0.300901
C 3.806108 -0.449785 -0.398473
C 1.396796 -0.579515 -0.643365
C 0.190930 0.258520 -0.214189
C -1.120333 -0.385784 -0.669097
C -2.324443 0.472469 -0.247918
C -4.798356 0.592479 -0.338927
C -5.959527 0.092051 -1.195652
H 6.342599 0.088976 -1.182369
H 6.577273 -1.173836 1.632083
H 6.060243 -2.010121 0.164409
H 6.881937 2.247709 -0.037319
H 7.078225 1.417659 1.511018
H 8.479292 -2.447367 0.656992
H 8.277701 -1.641122 -0.903490
H 8.785766 0.988178 -1.025931
H 9.299575 1.797624 0.459364
H 9.101324 -0.310080 1.757207
H 10.139023 -0.576158 0.350042
H 4.555768 1.524871 0.030442
H 4.649542 0.424201 1.396597
H 3.828979 -1.477465 0.000925
H 3.943399 -0.468930 -1.493066
H 1.380560 -1.595379 -0.213384
H 1.500466 -0.638409 -1.740143
H 0.294208 1.282639 -0.626950
H 0.211258 0.386703 0.887167
H -1.126592 -0.511365 -1.771757
H -1.210152 -1.406172 -0.248887
H -2.336251 0.602453 0.856013
H -2.235266 1.490324 -0.690276
H -3.638428 -1.126686 -0.464426
H -5.019068 0.471085 0.748640
H -4.638000 1.682767 -0.504859
H -5.763682 0.275847 -2.275699
H -6.116748 -1.002293 -1.095635
H -7.256543 0.923625 2.836142


%chk=000210345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210345

0 1
S -7.541637 0.952107 -1.180457
S -8.605574 -0.328207 0.660539
O 2.626513 0.405154 0.072361
O -8.440717 0.989907 1.966048
O -10.182518 -0.655112 0.506188
O -7.590633 -1.540714 1.036937
N -3.588878 -0.033698 -0.488490
C 6.444801 0.176485 -0.118761
C 6.822198 -1.256804 0.344845
C 7.494216 1.197097 0.397221
C 8.264870 -1.639167 -0.065660
C 8.935532 0.819786 -0.016289
C 9.295366 -0.609379 0.454496
C 5.022816 0.599663 0.326875
C 3.895659 -0.263491 -0.250873
C 1.453926 -0.350186 -0.377797
C 0.214567 0.483015 -0.034896
C -1.102495 -0.220111 -0.432070
C -2.335007 0.653296 -0.127549
C -4.838786 0.727860 -0.375611
C -5.948746 -0.024238 -1.133090
H 6.479778 0.191617 -1.232156
H 6.728368 -1.308420 1.450931
H 6.111072 -1.997986 -0.070245
H 7.242448 2.210170 0.024812
H 7.432944 1.240714 1.505732
H 8.510014 -2.651668 0.310522
H 8.326922 -1.685563 -1.173173
H 9.026073 0.872719 -1.121410
H 9.654422 1.553108 0.398553
H 9.307355 -0.634620 1.564238
H 10.314100 -0.881496 0.115960
H 4.835760 1.644995 0.010863
H 4.955941 0.585539 1.432960
H 3.899513 -1.287619 0.183663
H 4.000576 -0.358433 -1.356738
H 1.418126 -1.341184 0.131607
H 1.512747 -0.533900 -1.475635
H 0.295985 1.459506 -0.550391
H 0.224405 0.693981 1.051926
H -1.099973 -0.466265 -1.511844
H -1.187962 -1.182667 0.115725
H -2.317771 0.953387 0.949236
H -2.280366 1.590602 -0.715986
H -3.653232 -0.992454 -0.122399
H -5.170515 0.907096 0.673636
H -4.678015 1.721512 -0.836065
H -5.661711 -0.239643 -2.179065
H -6.177541 -0.989108 -0.632683
H -9.126233 0.791314 2.671857


