%chk=000236576.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236576

0 1
S 0.436581 -0.915061 -1.075924
O 4.978510 0.267918 0.227729
N 0.026897 1.254629 0.274294
N 3.940972 -1.726825 0.539036
C 1.805661 0.123710 -0.771731
C 1.408564 1.223910 -0.049271
C -0.626766 0.210628 -0.179756
C 3.145694 -0.228713 -1.269695
C -2.048661 -0.079399 -0.052374
C 2.261134 2.343699 0.408714
C -2.964969 0.986120 0.023273
C -2.512234 -1.405485 -0.002734
C 4.097099 -0.503015 -0.109290
C -4.331630 0.722713 0.135198
C -3.881407 -1.657972 0.109881
C -4.791458 -0.597507 0.176368
H 3.567237 0.620444 -1.865942
H 3.130875 -1.085902 -1.976481
H 2.220746 3.186700 -0.299462
H 1.929984 2.735905 1.384380
H 3.320532 2.048400 0.511401
H -2.599865 2.015607 -0.000071
H -1.813644 -2.241268 -0.041980
H -5.039415 1.548983 0.192555
H -4.240588 -2.685623 0.147933
H -5.858272 -0.800310 0.262867
H 3.127368 -2.303033 0.409021
H 4.490956 -1.920653 1.363761


%chk=000236576-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236576

0 1
S 0.564486 -1.146920 -1.012102
O 5.376918 -1.328100 -0.418559
N 0.013876 1.237164 0.045531
N 3.660004 -1.093452 1.132647
C 1.895535 0.065406 -0.784420
C 1.389964 1.240166 -0.223305
C -0.593052 0.105022 -0.286402
C 3.303524 -0.266616 -1.188401
C -2.022309 -0.179431 -0.116877
C 2.178946 2.481146 0.106926
C -2.859669 0.822077 0.454303
C -2.597901 -1.420443 -0.504533
C 4.207074 -0.949934 -0.124955
C -4.235938 0.581481 0.630975
C -3.976437 -1.655631 -0.325634
C -4.801886 -0.657060 0.242856
H 3.837667 0.652401 -1.492564
H 3.328245 -0.928652 -2.071778
H 1.802093 3.339748 -0.477603
H 2.060744 2.738801 1.174675
H 3.253637 2.359902 -0.102670
H -2.407308 1.774320 0.747823
H -1.969879 -2.202908 -0.947690
H -4.870458 1.358693 1.070927
H -4.407290 -2.615842 -0.629253
H -5.872860 -0.841448 0.380991
H 2.705545 -0.792526 1.329337
H 4.216627 -1.538763 1.861459


