%chk=000215983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215983

0 1
S 2.751406 -2.592836 -0.704026
O -4.690491 -1.819352 -1.862089
O 2.616499 1.679412 0.863911
N -1.386211 1.054343 1.478086
N 2.480994 0.659513 -1.181226
N 4.400078 -0.061098 1.965180
C -0.652935 0.928816 -0.680948
C 0.125630 1.099053 -1.934683
C -1.896741 0.202869 -0.589779
C 1.542482 1.663682 -1.741870
C -2.340526 0.295373 0.774834
C -0.372813 1.432060 0.584958
C -2.673620 -0.512065 -1.522295
C 3.779837 -0.427289 0.664456
C -3.535759 -0.307120 1.221136
C 2.880960 0.723612 0.141686
C -3.841464 -1.092852 -1.051985
C -4.288064 -1.004674 0.299447
C 2.956352 -1.702055 0.862976
H -0.437387 1.780613 -2.612585
H 0.173264 0.125695 -2.470646
H 1.952710 1.999122 -2.721493
H 1.521864 2.561973 -1.078082
H 0.482534 2.015270 0.910392
H -1.429244 1.289894 2.448745
H -2.356769 -0.593083 -2.553813
H 2.572366 -0.207845 -1.713100
H 4.616477 -0.601363 -0.065509
H -3.848355 -0.220622 2.258253
H -5.221079 -1.496199 0.567938
H 1.939690 -1.483328 1.252216
H 3.435566 -2.354774 1.624603
H 3.684494 0.230225 2.632622
H 5.017318 0.741529 1.847659
H -4.360251 -1.869140 -2.789966
H 3.989288 -3.116660 -0.831203


%chk=000215983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215983

0 1
S 2.919093 -2.603797 -0.862594
O -4.875198 -1.787646 -1.916130
O 2.796262 1.913060 0.812417
N -1.429641 1.005570 1.480662
N 2.425564 0.602862 -1.080209
N 4.223044 0.066924 2.098317
C -0.701395 0.871508 -0.683105
C 0.096752 1.043976 -1.954608
C -1.976416 0.183411 -0.577891
C 1.543737 1.562521 -1.768227
C -2.410637 0.280704 0.790813
C -0.403993 1.359274 0.593341
C -2.790928 -0.509049 -1.516010
C 3.848531 -0.317266 0.740691
C -3.622086 -0.292797 1.235888
C 2.972027 0.832445 0.155468
C -3.996789 -1.078717 -1.062775
C -4.414655 -0.976320 0.296054
C 3.095502 -1.683179 0.805751
H -0.420005 1.757776 -2.631129
H 0.128926 0.080987 -2.507215
H 1.972422 1.788926 -2.763844
H 1.556637 2.494187 -1.177140
H 0.469181 1.916661 0.933110
H -1.444953 1.227476 2.473059
H -2.487996 -0.596812 -2.567816
H 2.551919 -0.335308 -1.489425
H 4.729382 -0.441360 0.067826
H -3.947094 -0.216191 2.279277
H -5.362280 -1.441096 0.582872
H 2.063551 -1.551301 1.169123
H 3.631114 -2.352632 1.495402
H 3.925282 1.020768 2.334064
H 5.156620 -0.197919 2.409909
H -4.511848 -1.817436 -2.835431
H 4.278467 -2.789509 -1.066692


