%chk=000229606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229606

0 1
S -1.342230 1.284219 -0.785692
O -1.363793 1.133339 -2.216081
O -1.523801 2.575558 -0.180774
O 1.283146 2.752196 0.310348
O -0.001815 -1.533459 -0.832864
N 0.266297 0.721644 -0.294934
C 2.531384 0.643873 0.353371
C 2.144524 -0.673322 -0.008094
C 1.362895 1.569545 0.157152
C 0.710968 -0.646352 -0.441921
C -2.393448 0.156398 -0.023932
C 3.808484 0.919088 0.794372
C 3.031061 -1.727308 0.066360
C -2.978638 0.487836 1.205820
C -2.698590 -1.062554 -0.639186
C 4.721153 -0.159004 0.873808
C 4.342246 -1.449391 0.518415
C -3.861316 -0.400916 1.821503
C -3.585334 -1.952738 -0.023612
C -4.163915 -1.622070 1.204886
H 4.109856 1.930445 1.071419
H 2.737149 -2.739639 -0.213681
H -2.751520 1.449971 1.680964
H -2.235426 -1.328333 -1.598800
H 5.738254 0.035047 1.219284
H 5.062272 -2.266880 0.584860
H -4.316366 -0.144053 2.776804
H -3.819355 -2.902419 -0.503018
H -4.854744 -2.316122 1.686022


%chk=000229606-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229606

0 1
S -1.368503 1.232925 -0.963388
O -1.379934 0.885582 -2.538759
O -1.599887 2.741491 -0.441805
O 1.215052 2.642957 0.802963
O 0.226036 -1.552342 -1.201853
N 0.365339 0.665131 -0.301371
C 2.566119 0.596551 0.461175
C 2.279813 -0.652927 -0.135443
C 1.352799 1.480610 0.374212
C 0.868890 -0.637246 -0.635534
C -2.525860 0.077136 -0.014047
C 3.821156 0.868752 1.027316
C 3.237182 -1.678147 -0.189981
C -3.094518 0.584780 1.165027
C -2.798455 -1.185632 -0.561074
C 4.798381 -0.158571 0.974031
C 4.511030 -1.412254 0.374638
C -4.002243 -0.254258 1.852022
C -3.712970 -2.002136 0.144436
C -4.306546 -1.539402 1.343061
H 4.029276 1.839842 1.486947
H 3.002481 -2.640860 -0.654313
H -2.852454 1.592754 1.517057
H -2.312014 -1.515251 -1.483115
H 5.791841 0.016623 1.400491
H 5.287231 -2.184417 0.348135
H -4.470962 0.099776 2.775688
H -3.955827 -2.995991 -0.244412
H -5.013052 -2.180876 1.880697


