%chk=000213695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213695

0 1
S -5.433287 1.100132 0.121361
O 5.772069 -3.011303 1.054417
O 0.584757 3.844158 1.306421
N 5.788366 -1.376243 -1.118255
N 1.829280 0.941020 0.594491
C 3.816069 -0.185052 -0.251907
C 4.813500 -1.193684 -0.149631
C 2.842193 -0.044851 0.803314
C 4.798864 -2.057737 1.013104
C 2.870438 -0.892969 1.896781
C 3.840763 0.651673 -1.413174
C 3.848054 -1.910986 2.004941
C -1.105403 2.216261 0.937788
C -3.735890 1.468252 0.402239
C 4.807530 0.462743 -2.368026
C -1.381046 0.950279 0.403084
C -2.162191 3.113983 1.186960
C 0.275525 2.676029 1.234308
C -2.700018 0.572868 0.133681
C -3.479455 2.742239 0.927691
C 5.777741 -0.574547 -2.179170
C 1.318793 1.620782 1.560678
C -5.455935 -0.502547 -0.614822
C -5.288367 -0.626157 -1.995628
C -5.723335 -1.610457 0.191525
C -5.392300 -1.892601 -2.580808
C -5.828091 -2.872734 -0.403242
C -5.662095 -3.012276 -1.785629
H 2.129900 -0.804913 2.692512
H 3.077559 1.428867 -1.518919
H 3.834905 -2.563627 2.873340
H 4.854589 1.080292 -3.262718
H -0.569163 0.254082 0.178022
H -1.935992 4.109290 1.581424
H -2.901493 -0.414145 -0.284329
H -4.292166 3.441948 1.127696
H 6.560544 -0.737791 -2.931269
H 1.569883 1.587846 2.631801
H -5.081594 0.248877 -2.613945
H -5.851994 -1.499446 1.269268
H 5.708900 -3.566523 1.876947
H -5.264900 -2.005704 -3.656601
H -6.039446 -3.746536 0.211465
H -5.744058 -3.996991 -2.245386


%chk=000213695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213695

0 1
S -5.361549 1.189661 -0.138189
O 6.502158 -2.132992 0.782575
O 0.243802 3.590065 2.959035
N 4.744134 -2.070342 -1.320140
N 1.650419 0.766438 1.267648
C 3.176748 -0.635332 -0.027650
C 4.410621 -1.378209 -0.168679
C 2.891839 0.092585 1.191240
C 5.332659 -1.399735 0.944565
C 3.821413 0.030153 2.249254
C 2.277870 -0.640328 -1.141633
C 5.021610 -0.712716 2.131353
C -1.122048 2.134278 1.604746
C -3.670139 1.503223 0.508619
C 2.617406 -1.346605 -2.297231
C -1.331956 0.909877 0.909892
C -2.220617 3.033007 1.743675
C 0.172643 2.543206 2.224141
C -2.595052 0.594310 0.370424
C -3.477801 2.729764 1.200959
C 3.865639 -2.044377 -2.341037
C 1.465440 1.804941 2.045732
C -5.136544 -0.330092 -1.162864
C -4.608246 -0.227563 -2.470924
C -5.567709 -1.576672 -0.654898
C -4.502271 -1.387812 -3.271951
C -5.465887 -2.732689 -1.464758
C -4.932072 -2.639738 -2.770947
H 3.600585 0.528542 3.199062
H 1.340307 -0.083769 -1.056849
H 5.712886 -0.756285 2.982740
H 1.948986 -1.372494 -3.163402
H -0.499562 0.210142 0.803826
H -2.055052 3.970304 2.285023
H -2.740775 -0.356623 -0.151367
H -4.307496 3.437372 1.307387
H 4.157596 -2.600616 -3.239923
H 2.280007 2.283107 2.627666
H -4.288820 0.746972 -2.853880
H -5.975154 -1.638940 0.359118
H 7.066542 -2.076085 1.595432
H -4.094155 -1.311008 -4.285621
H -5.801535 -3.699272 -1.073849
H -4.854867 -3.535852 -3.396518


