%chk=000210314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210314

0 1
S -5.015276 0.292029 -1.301672
S -5.753447 0.032910 0.600248
O 8.732747 -0.401679 0.572985
O -4.702629 1.079010 1.388294
O -7.040093 0.634435 0.706382
O -5.447630 -1.276555 1.062482
N -1.068533 -0.434961 -0.640612
C 2.611348 0.487172 -0.057997
C 3.890153 -0.357592 0.020645
C 1.374713 -0.395542 -0.266329
C 5.131245 0.522353 0.222894
C 0.096229 0.454853 -0.338143
C 6.402864 -0.326677 0.305060
C -2.364473 0.312409 -0.597665
C 7.643555 0.544779 0.502572
C -3.421797 -0.588281 -1.232878
H 2.498663 1.085687 0.866682
H 2.695415 1.219141 -0.884988
H 4.001937 -0.959291 -0.902692
H 3.809191 -1.089924 0.847486
H 1.297346 -1.139238 0.549848
H 1.478809 -0.985744 -1.200164
H 5.214383 1.249816 -0.608124
H 5.017797 1.124927 1.145171
H -0.031488 1.035850 0.600792
H 0.180144 1.194861 -1.165605
H 6.529824 -0.940320 -0.609906
H 6.337216 -1.060199 1.134308
H -1.097802 -1.208937 0.033974
H -2.663340 0.617561 0.433680
H -2.257371 1.254443 -1.183323
H 7.818745 1.227471 -0.346747
H 7.610549 1.117928 1.445346
H -3.525823 -1.556979 -0.700828
H -3.148228 -0.842616 -2.281367
H 9.578931 0.067672 0.682524
H -5.089775 1.699827 2.027766


%chk=000210314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210314

0 1
S -4.985730 0.362519 -1.560752
S -6.082253 -0.208962 0.595853
O 8.960513 -0.610895 0.455318
O -5.993084 1.493322 1.348673
O -7.645292 -0.622151 0.533601
O -5.052856 -1.171669 1.405561
N -1.043654 -0.185794 -0.454585
C 2.737230 0.538782 -0.046744
C 4.001852 -0.347850 -0.006679
C 1.438126 -0.274517 -0.241929
C 5.303199 0.458041 0.206043
C 0.183404 0.617814 -0.305682
C 6.561674 -0.438093 0.234585
C -2.311019 0.526800 -0.654127
C 7.850172 0.358408 0.454441
C -3.374442 -0.479469 -1.130424
H 2.669794 1.123948 0.894081
H 2.836062 1.278725 -0.868361
H 4.077693 -0.922424 -0.952904
H 3.899904 -1.097615 0.805312
H 1.333440 -0.998261 0.594367
H 1.499209 -0.871864 -1.172201
H 5.401107 1.212907 -0.602467
H 5.227915 1.026567 1.156903
H 0.146641 1.269932 0.601982
H 0.252069 1.297623 -1.178346
H 6.651873 -0.995902 -0.717688
H 6.472487 -1.191732 1.041031
H -1.107229 -0.968531 0.209146
H -2.687233 1.051070 0.255226
H -2.152076 1.300876 -1.429340
H 7.979665 1.106256 -0.359204
H 7.800876 0.903055 1.423383
H -3.598400 -1.216584 -0.330426
H -3.043291 -1.036804 -2.026475
H 9.816522 -0.132509 0.593680
H -6.700770 1.535584 2.059250


