%chk=000235964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235964

0 1
S -0.455402 -1.931211 -0.004313
O -1.079587 -3.028682 -0.720809
O 0.237841 -2.168865 1.241820
N 0.685199 -1.337728 -1.168917
N -4.353764 2.449012 0.623812
N 3.440409 1.298219 1.880721
C -1.567372 -0.650570 0.172548
C 1.723251 -0.408529 -0.929954
C -2.810838 -0.714332 -0.478636
C -1.263392 0.464653 0.970216
C 2.111373 -0.077438 0.378072
C 2.355811 0.197180 -2.041807
C -3.736762 0.309796 -0.353430
C -2.167925 1.505892 1.115076
C -3.421097 1.435869 0.452261
C 3.109623 0.896698 0.567827
C 3.347567 1.151920 -1.823211
C 3.733831 1.520396 -0.535466
H 0.633556 -1.707724 -2.127773
H -3.054470 -1.591285 -1.093888
H -0.296755 0.519394 1.487594
H 1.695339 -0.603052 1.239951
H 2.072382 -0.070822 -3.052450
H -4.695907 0.245748 -0.858060
H -1.919248 2.362683 1.734566
H 3.832180 1.622243 -2.680665
H 4.495994 2.275161 -0.386599
H -5.188116 2.476945 0.065124
H -4.099582 3.306000 1.082570
H 4.335626 1.744867 2.010644
H 3.216533 0.653065 2.625474


%chk=000235964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235964

0 1
S -0.434931 -2.153725 0.248681
O -1.224067 -3.387341 -0.462619
O 0.220002 -2.255436 1.731992
N 1.064086 -1.839774 -0.964011
N -4.099976 2.679850 0.170865
N 3.957728 0.988207 1.764078
C -1.561684 -0.659386 0.231631
C 1.760643 -0.609007 -0.800082
C -2.639950 -0.645295 -0.674081
C -1.305144 0.401030 1.121734
C 2.497517 -0.410892 0.394530
C 1.763328 0.380068 -1.825674
C -3.491661 0.471719 -0.688885
C -2.156790 1.518271 1.099318
C -3.259135 1.573708 0.191666
C 3.243948 0.782922 0.582811
C 2.542357 1.543163 -1.647571
C 3.268612 1.760241 -0.459446
H 0.635281 -1.967463 -1.899106
H -2.821684 -1.507051 -1.324963
H -0.470737 0.338940 1.827085
H 2.491290 -1.198888 1.154883
H 1.176919 0.230916 -2.739780
H -4.344885 0.495671 -1.376637
H -1.975372 2.352608 1.786517
H 2.571492 2.300426 -2.439401
H 3.858450 2.676221 -0.333385
H -4.893021 2.721718 -0.462895
H -3.947415 3.463735 0.799032
H 4.534477 1.814648 1.888144
H 3.956622 0.285700 2.497867


