%chk=000208029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208029

0 1
S 3.712028 -0.829759 0.112088
O 1.082563 -1.344659 1.305881
N -1.608643 -2.326398 -0.566801
C -3.022582 -2.788761 -0.769353
C -0.895238 -3.499628 0.040869
C -3.314529 -3.913261 0.248763
C -1.939883 -4.381090 0.760621
C -1.522484 -1.097612 0.284056
C -0.366535 -0.221765 -0.263715
C -0.628836 1.232639 0.044429
C 0.983256 -0.646138 0.316503
C -0.474041 1.723624 1.350215
C -1.049386 2.096841 -0.977445
C 2.184877 -0.176521 -0.381907
C -0.730367 3.068611 1.626392
C -1.306238 3.441299 -0.694331
C 2.357774 0.735422 -1.389815
C -1.145765 3.930303 0.605715
C 3.735781 0.896938 -1.766758
C 4.588248 0.109650 -1.042707
H -3.078316 -3.177759 -1.808884
H -3.747921 -1.959394 -0.696894
H -0.079898 -3.181382 0.722166
H -0.421978 -4.052516 -0.797270
H -3.873051 -4.738582 -0.220238
H -3.939512 -3.544881 1.078526
H -1.865186 -4.265960 1.854713
H -1.770908 -5.448470 0.547908
H -1.350187 -1.316852 1.361069
H -2.469868 -0.519819 0.226579
H -0.322806 -0.382735 -1.377038
H -0.152596 1.054573 2.149418
H -1.185749 1.721878 -1.990214
H -0.605601 3.446221 2.640426
H -1.633376 4.108978 -1.489886
H 1.559835 1.296125 -1.862026
H -1.344108 4.977699 0.823309
H 4.039091 1.580669 -2.547972
H 5.660136 0.041873 -1.131293


%chk=000208029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208029

0 1
S 3.856007 -0.680003 0.116966
O 1.147028 -1.039151 1.422802
N -1.289778 -2.408559 -0.444545
C -2.492965 -2.953713 -1.129477
C -0.861605 -3.516521 0.458277
C -3.271211 -3.796433 -0.059829
C -2.178028 -4.184718 0.990814
C -1.445177 -1.080225 0.192971
C -0.340636 -0.075105 -0.270525
C -0.670191 1.352878 0.180847
C 1.037677 -0.497889 0.276422
C -0.575662 1.725624 1.547707
C -1.131753 2.310640 -0.757818
C 2.225803 -0.220711 -0.540146
C -0.932661 3.028000 1.961476
C -1.490334 3.613448 -0.344656
C 2.349868 0.378691 -1.797049
C -1.391236 3.977001 1.018264
C 3.703509 0.484818 -2.259262
C 4.625934 -0.034970 -1.356635
H -2.163879 -3.614226 -1.955890
H -3.095878 -2.141002 -1.570282
H -0.206723 -3.129211 1.254419
H -0.282170 -4.251901 -0.133337
H -3.753870 -4.681783 -0.511053
H -4.065446 -3.188537 0.410018
H -2.438840 -3.789930 1.989121
H -2.063265 -5.278975 1.088322
H -1.405842 -1.146162 1.299556
H -2.423883 -0.638489 -0.078209
H -0.320066 -0.114143 -1.374003
H -0.207802 0.997897 2.280479
H -1.214849 2.032773 -1.816454
H -0.850592 3.303799 3.019008
H -1.844620 4.342455 -1.082486
H 1.491285 0.737266 -2.368940
H -1.665866 4.987683 1.340506
H 3.986185 0.925285 -3.218073
H 5.709535 -0.086501 -1.454209


