%chk=000181252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181252

0 1
S -1.329454 -1.365586 0.187959
O 3.705367 -1.166119 0.015740
O 4.321308 2.028579 -1.356992
N -1.360562 1.211099 0.115783
N 1.418593 -1.073569 0.100646
N -0.051273 0.888080 0.093365
N 2.812064 0.948462 0.118526
C -3.711830 0.230285 0.198823
C -2.202097 0.202449 0.164829
C -4.195852 1.690145 0.193114
C -4.189690 -0.470725 1.482034
C -4.244783 -0.499389 -1.046205
C 0.196142 -0.435777 0.123744
C 1.413613 -2.562320 0.147373
C 2.723669 -0.437039 0.061149
C 4.138985 1.592710 -0.018108
H -3.848927 2.227047 -0.699539
H -5.287920 1.750360 0.215464
H -3.811607 2.246376 1.058009
H -3.750393 -0.013668 2.377322
H -5.278855 -0.395913 1.584523
H -3.939804 -1.536432 1.498211
H -5.337845 -0.431770 -1.099781
H -3.849528 -0.058896 -1.969956
H -3.989163 -1.563831 -1.052212
H 2.457608 -2.945679 0.122869
H 0.888824 -2.982060 -0.727787
H 0.950150 -2.927955 1.079493
H 1.984442 1.559411 0.024351
H 4.147767 2.542346 0.563338
H 4.952136 0.897662 0.285595
H 4.458417 1.274517 -1.970779


%chk=000181252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181252

0 1
S -1.323403 -1.495941 0.132918
O 3.815762 -1.021032 -0.117843
O 4.647930 1.526975 -1.267731
N -1.340579 1.179762 0.128601
N 1.462180 -1.114328 0.006427
N 0.010586 0.819836 0.070570
N 2.634564 0.981788 0.007181
C -3.696811 0.249920 0.233857
C -2.183411 0.160711 0.165974
C -4.119975 1.743266 0.219121
C -4.194919 -0.421951 1.548482
C -4.316130 -0.481631 -0.994027
C 0.218390 -0.510482 0.064379
C 1.548763 -2.591158 -0.035207
C 2.717147 -0.381721 -0.036184
C 3.891018 1.747837 -0.046986
H -3.778019 2.245100 -0.701682
H -5.222100 1.807089 0.272574
H -3.689231 2.288230 1.075855
H -3.759889 0.073089 2.434682
H -5.295419 -0.339991 1.609509
H -3.928290 -1.494237 1.584123
H -5.417197 -0.393464 -0.957540
H -3.963095 -0.035384 -1.940492
H -4.058915 -1.556891 -1.000528
H 2.616040 -2.850094 -0.096572
H 1.020739 -2.986047 -0.921492
H 1.114359 -3.031281 0.880234
H 1.686637 1.418604 -0.007135
H 3.633114 2.816671 -0.034923
H 4.502664 1.488230 0.840528
H 4.956994 0.581326 -1.245771


