%chk=000221142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221142

0 1
S 1.285768 -0.266652 1.079894
O -0.985347 -2.125805 -0.004476
N 3.913575 -0.142410 0.814082
N 2.566203 0.568730 -1.096315
C -0.152663 0.169089 0.032800
C -1.271402 -0.795671 0.462782
C -0.522970 1.628101 0.270661
C -2.595932 -0.444446 -0.234639
C -1.846040 1.965028 -0.434647
C -2.971778 1.019850 0.006866
C 2.730812 0.089766 0.083354
H 0.106012 -0.000603 -1.044847
H -1.395858 -0.833477 1.568159
H 0.284636 2.287779 -0.110536
H -0.610213 1.847367 1.353292
H -3.391043 -1.124403 0.126052
H -2.501304 -0.655114 -1.319564
H -1.711141 1.902613 -1.532510
H -2.125423 3.013693 -0.221313
H -3.200536 1.180483 1.078325
H -3.902610 1.260372 -0.541534
H -0.122201 -2.443248 0.329016
H 4.762054 -0.313454 0.292731
H 3.865363 -0.677623 1.670668
H 3.355437 0.799032 -1.690500


%chk=000221142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221142

0 1
S 1.362914 -0.162952 1.298935
O -0.845385 -2.126428 0.134662
N 3.948149 -0.328022 0.585324
N 2.414724 0.270123 -1.211071
C -0.160704 0.275158 0.221556
C -1.270153 -0.767021 0.481697
C -0.639283 1.712657 0.496429
C -2.504617 -0.445352 -0.382236
C -1.888575 2.029813 -0.366149
C -3.012788 0.993122 -0.127386
C 2.711080 -0.045388 0.015259
H 0.240790 0.177830 -0.806513
H -1.557378 -0.719812 1.558396
H 0.179696 2.419607 0.272841
H -0.890533 1.828868 1.570032
H -3.289068 -1.193258 -0.164657
H -2.220713 -0.569479 -1.445539
H -1.603379 2.020243 -1.437577
H -2.247804 3.051018 -0.135532
H -3.376580 1.080739 0.917427
H -3.877231 1.206454 -0.784528
H 0.058038 -2.261454 0.531557
H 4.793664 -0.294699 0.019145
H 4.033246 -0.555550 1.574677
H 3.205289 0.312781 -1.878946


