%chk=000186115.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186115

0 1
S -4.316437 -0.063848 0.450597
N 1.689049 -0.272928 0.197000
N 0.159833 1.742570 -1.480088
N 0.167329 -2.203468 1.469917
C 2.375622 -0.546953 -1.116871
C 2.361564 0.747372 1.073137
C 0.246562 -0.157678 0.103776
C 1.611290 -1.634362 -1.884405
C 3.816998 -1.010672 -0.854402
C 1.592665 0.902253 2.392935
C 2.591954 2.128077 0.440252
C -0.484077 0.788479 -0.655582
C -0.487801 -1.117452 0.868181
C -1.897286 0.843688 -0.577366
C -1.894826 -1.038162 0.965723
C -2.563523 -0.052534 0.246458
C -4.942541 1.374460 -0.441148
H 2.410272 0.384877 -1.749225
H 3.367917 0.299303 1.306305
H 2.161742 -1.960336 -2.771004
H 1.441782 -2.517853 -1.251954
H 0.620649 -1.295972 -2.207647
H 4.433766 -0.218451 -0.417667
H 4.300084 -1.330631 -1.783411
H 3.837394 -1.863032 -0.163665
H 1.454425 -0.059907 2.895048
H 2.127320 1.565183 3.080283
H 0.594511 1.331823 2.232532
H 3.097390 2.063686 -0.526122
H 3.211606 2.754483 1.090272
H 1.646337 2.667041 0.291672
H -2.432014 1.591892 -1.150268
H -2.437508 -1.754715 1.575962
H -0.404722 2.144072 -2.214949
H 1.093479 1.502049 -1.800003
H -0.269957 -2.625015 2.272832
H 1.179204 -2.149569 1.529179
H -4.497226 2.308701 -0.080269
H -6.025711 1.421092 -0.261794
H -4.778214 1.292835 -1.521021


%chk=000186115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186115

0 1
S -4.465515 -0.242444 0.450415
N 1.661341 -0.119012 0.135220
N 0.055834 1.826817 -1.380441
N 0.290523 -2.023554 1.590559
C 2.352863 -0.560807 -1.120501
C 2.436216 0.780430 1.060166
C 0.210892 -0.073456 0.157817
C 1.474555 -1.550694 -1.915258
C 3.723444 -1.211717 -0.808234
C 1.656541 1.056105 2.362356
C 2.900612 2.126851 0.428801
C -0.568841 0.873157 -0.570628
C -0.476266 -1.072452 0.923582
C -1.993873 0.851354 -0.503353
C -1.894578 -1.093019 0.995478
C -2.635523 -0.125145 0.282424
C -5.072125 1.163829 -0.629939
H 2.560754 0.308218 -1.797484
H 3.355172 0.225049 1.339297
H 2.017359 -1.878457 -2.820458
H 1.240677 -2.441473 -1.304184
H 0.522253 -1.092571 -2.228509
H 4.431168 -0.510632 -0.331479
H 4.189112 -1.566304 -1.746000
H 3.588995 -2.081030 -0.137140
H 1.355574 0.118124 2.859205
H 2.294233 1.633824 3.056454
H 0.743041 1.643300 2.162670
H 3.408340 1.974741 -0.543123
H 3.624047 2.625869 1.100787
H 2.046130 2.812940 0.285789
H -2.561529 1.597028 -1.069272
H -2.403727 -1.858570 1.591695
H -0.495536 2.488457 -1.917292
H 1.067422 1.862679 -1.444429
H -0.136276 -2.786965 2.104331
H 1.298894 -1.978037 1.443344
H -4.704560 2.131475 -0.253523
H -6.170642 1.134884 -0.558301
H -4.768098 1.011605 -1.677644


