%chk=000236061.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236061

0 1
S -0.111779 -0.370472 1.902231
S 0.612635 -1.299989 0.168539
O -1.062595 -2.339386 -0.041799
O 0.831081 1.651799 0.815188
O -3.130955 -2.477580 -0.624230
O 2.584257 2.907651 0.677184
N -2.151342 1.456787 1.363524
N 3.306575 -1.472975 -0.206087
N -3.519499 0.293090 -0.041373
N 4.150653 0.626819 0.012571
N -2.219879 -1.834695 -0.161535
N 2.034314 1.830299 0.591193
C -1.557159 0.229983 1.178151
C 2.229707 -0.663239 0.108933
C -2.412163 -0.492490 0.306879
C 2.766748 0.637028 0.244935
C -3.356201 1.460746 0.599818
C 4.466670 -0.644353 -0.269182
C -1.618669 2.568411 2.153784
C 3.266091 -2.912070 -0.481677
H -4.027647 2.308419 0.561009
H 5.449958 -1.021362 -0.510244
H -1.686996 2.362610 3.237351
H -0.538159 2.738344 1.902487
H -2.157926 3.506091 1.937449
H 2.530388 -3.424633 0.172382
H 2.973652 -3.108105 -1.531783
H 4.253138 -3.374227 -0.304098


%chk=000236061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236061

0 1
S -0.414813 -1.061941 1.550014
S 0.783458 -1.340938 -0.511564
O -2.110607 -2.363985 -0.762823
O 0.718547 1.832853 -0.062408
O -4.359143 -1.937374 -0.831734
O 2.568956 3.068282 -0.606378
N -2.046958 1.223442 1.471030
N 3.518966 -1.323511 0.061301
N -3.810137 0.662690 0.142443
N 4.169536 0.856776 0.094799
N -3.153495 -1.630632 -0.507162
N 1.998137 1.965381 -0.274467
C -1.797398 -0.090328 1.028654
C 2.343577 -0.569753 -0.153874
C -2.921780 -0.389471 0.212757
C 2.806644 0.773597 -0.121306
C -3.255690 1.620710 0.919986
C 4.572181 -0.428157 0.195204
C -1.195306 2.021405 2.367987
C 3.616645 -2.793109 0.076507
H -3.692433 2.599250 1.104859
H 5.599183 -0.745093 0.361819
H -1.168895 1.578493 3.377190
H -0.178152 2.067996 1.950027
H -1.609299 3.039942 2.426822
H 2.745100 -3.216855 0.599217
H 3.638468 -3.194933 -0.950341
H 4.539605 -3.082236 0.603040


