%chk=000236837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236837

0 1
S -2.624862 -2.284664 0.857115
O 3.766433 -0.465749 -0.451804
N 1.285649 0.369352 0.694946
N -0.249360 1.675019 -0.505558
N -1.049422 -1.655363 0.905662
N -2.630461 1.192820 -0.771736
N -3.361843 -0.964652 0.083532
C 2.352769 1.361689 0.357021
C 1.875910 -0.956662 1.021858
C 3.224310 0.828378 -0.790194
C 2.753563 -1.443460 -0.144212
C 0.025081 0.519341 0.144082
C -1.060633 -0.458183 0.349861
C -2.434741 -0.041244 -0.144919
C -1.555768 1.957745 -0.911047
H 2.962213 1.515162 1.276811
H 1.911509 2.352009 0.092093
H 1.107073 -1.715510 1.286610
H 2.497431 -0.821106 1.939799
H 2.661853 0.752477 -1.737627
H 4.137207 1.433336 -0.939178
H 3.355832 -2.329274 0.129470
H 2.161726 -1.654925 -1.051698
H -1.671370 2.937764 -1.410487


%chk=000236837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236837

0 1
S -2.679319 -2.359129 0.785991
O 3.989518 -0.469295 -0.221545
N 1.282279 0.300577 0.394901
N -0.360705 1.768759 -0.407876
N -1.004042 -1.694792 0.767675
N -2.763514 1.280896 -0.557520
N -3.468983 -0.908956 0.144925
C 2.319504 1.336347 0.152196
C 1.837868 -0.967468 0.925252
C 3.408400 0.763244 -0.778019
C 2.941444 -1.481338 -0.025760
C -0.034056 0.546391 0.098143
C -1.117824 -0.431612 0.299709
C -2.487238 0.021812 -0.055778
C -1.674223 2.061377 -0.697955
H 2.770974 1.610825 1.125419
H 1.830201 2.219134 -0.287432
H 1.034770 -1.711972 1.043415
H 2.286492 -0.758983 1.916883
H 2.979249 0.561134 -1.782529
H 4.248540 1.469843 -0.872515
H 3.450298 -2.354570 0.413067
H 2.497013 -1.764206 -1.004048
H -1.846547 3.066282 -1.096202


