%chk=000270968.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270968

0 1
S 3.233728 0.661511 0.593584
O -3.519179 -0.813727 -0.566403
O -4.129907 1.264265 0.193392
N -1.451227 0.232354 -1.081337
N 0.073268 1.451916 0.143362
N 0.057950 -1.656050 -1.764890
N 2.332271 -1.371026 -0.911598
N -4.875913 -0.703534 1.224842
C -0.244552 -0.483711 -1.126990
C 0.706316 0.302287 -0.368022
C 2.018574 -0.208270 -0.293453
C -2.739846 -0.199514 -1.620735
C -1.191735 1.396069 -0.269337
C 4.736514 -0.353081 0.407898
C 5.833004 0.378385 1.171765
C 7.153889 -0.386061 1.086285
C 1.352256 -2.039613 -1.615155
C -4.184742 0.054991 0.311031
C -5.610529 -0.050790 2.327479
H -2.616077 -1.051723 -2.332314
H -3.297982 0.664564 -2.044185
H -1.990689 2.105737 -0.051448
H 4.985351 -0.476809 -0.663884
H 4.561547 -1.372823 0.802059
H 5.974770 1.403585 0.768984
H 5.550274 0.505971 2.238084
H 7.491864 -0.497345 0.049184
H 7.946519 0.136523 1.634589
H 7.068813 -1.392273 1.513378
H 1.659180 -2.979604 -2.102849
H -4.797067 -1.716708 1.228573
H -5.125126 -0.252185 3.298558
H -6.649738 -0.422325 2.358642
H -5.645680 1.048213 2.186612


%chk=000270968-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270968

0 1
S 3.336976 0.866535 0.653876
O -3.528628 -0.888161 -0.491908
O -4.319337 1.243221 0.169555
N -1.423912 0.259288 -0.922470
N 0.095903 1.577963 0.192447
N 0.058957 -1.627083 -1.548674
N 2.357328 -1.291848 -0.760484
N -5.040228 -0.748595 1.201913
C -0.204598 -0.430884 -0.960661
C 0.726291 0.403537 -0.268292
C 2.056769 -0.087439 -0.188091
C -2.678746 -0.208050 -1.488717
C -1.177335 1.456638 -0.213595
C 4.833282 -0.284340 0.418738
C 6.069086 0.378908 1.048870
C 7.316469 -0.523018 0.901735
C 1.367434 -1.989374 -1.402562
C -4.317800 -0.008604 0.306709
C -5.957673 -0.133498 2.166707
H -2.456606 -0.985082 -2.233624
H -3.231725 0.644591 -1.914827
H -1.978662 2.167083 -0.021452
H 4.951503 -0.451980 -0.663559
H 4.585623 -1.246730 0.894401
H 6.257618 1.356997 0.565667
H 5.881762 0.581289 2.121200
H 7.543306 -0.720860 -0.162321
H 8.202759 -0.042200 1.353472
H 7.166171 -1.497155 1.403040
H 1.663295 -2.943828 -1.846698
H -4.913837 -1.761267 1.180752
H -5.654409 -0.361414 3.204594
H -6.994269 -0.482975 2.009144
H -5.926667 0.957536 2.020817


