%chk=000215991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215991

0 1
S 0.823395 -2.568622 0.455408
O -3.030265 -2.677823 0.551361
N -1.349676 -1.143245 0.131252
N 0.645912 0.091021 -0.325701
N -2.867960 0.339089 1.226652
C 0.061571 -0.986226 0.034172
C -0.738275 -3.405564 0.815010
C -1.853020 -2.433780 0.526585
C -2.223159 0.017563 0.069203
C 2.059435 0.256800 -0.445010
C 2.788049 0.865595 0.606582
C -2.367538 0.731869 -1.134360
C 2.686337 -0.078313 -1.657093
C 4.150539 1.124855 0.406624
C 2.124552 1.215243 1.895642
C 4.045097 0.193086 -1.828572
C 4.775420 0.792336 -0.798775
C -3.241310 1.822380 -1.135013
C -3.717262 1.397132 1.193522
C -3.930940 2.160836 0.033299
H -0.775559 -3.735514 1.876036
H -0.844763 -4.324590 0.200300
H -1.805197 0.450191 -2.023040
H 2.111943 -0.539275 -2.458988
H 4.730265 1.592372 1.201619
H 1.192822 1.779598 1.725762
H 1.850339 0.312053 2.460980
H 2.758735 1.828240 2.547758
H 4.533215 -0.063645 -2.767130
H 5.834914 1.002569 -0.934262
H -3.383093 2.404724 -2.046482
H -4.229681 1.627745 2.135702
H -4.619842 3.001999 0.048758


%chk=000215991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215991

0 1
S 0.791798 -2.930738 -0.023956
O -3.187005 -2.747371 0.275121
N -1.346893 -1.278443 0.103962
N 0.684597 -0.075047 -0.080966
N -2.729315 0.154866 1.400500
C 0.065532 -1.198556 -0.018470
C -0.915766 -3.673577 0.264135
C -1.951612 -2.549956 0.220676
C -2.147616 -0.072532 0.198272
C 2.069071 0.146028 -0.278850
C 2.684041 1.200699 0.467365
C -2.285756 0.771792 -0.923880
C 2.821417 -0.583597 -1.240835
C 4.053228 1.471054 0.236700
C 1.881820 1.985304 1.485148
C 4.183420 -0.288112 -1.454960
C 4.806309 0.739074 -0.710839
C -3.090753 1.923264 -0.787002
C -3.512884 1.264926 1.515028
C -3.721760 2.174536 0.453495
H -0.949194 -4.161452 1.251322
H -1.136906 -4.412875 -0.520080
H -1.778862 0.532138 -1.861990
H 2.329404 -1.361123 -1.836265
H 4.534326 2.273425 0.808822
H 0.925114 2.326966 1.050878
H 1.618797 1.359666 2.359050
H 2.447178 2.860594 1.848220
H 4.751345 -0.853067 -2.202289
H 5.863930 0.974664 -0.871870
H -3.225477 2.605327 -1.632443
H -3.977987 1.420424 2.494496
H -4.358541 3.052397 0.599305


