%chk=000223935.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223935

0 1
S -1.879102 2.868623 -0.622324
O -2.921372 3.671371 -0.029802
O -1.437865 3.117757 -1.962698
O -3.811884 -3.229192 1.126660
O -2.505783 -3.755430 -0.518899
O 3.334335 -3.279339 -0.406475
O 1.355143 -2.439364 -0.650215
N -0.536475 3.174050 0.471085
N 0.440405 2.251353 0.369580
N -3.043307 -2.954215 0.220607
N 2.531411 -2.368220 -0.321252
C -2.218729 1.183281 -0.399000
C -3.289017 0.804449 0.419105
C -1.420515 0.221206 -1.023156
C -2.747825 -1.505442 0.001022
C -3.563616 -0.549583 0.622425
C -1.673522 -1.140938 -0.815984
C 2.514660 1.208080 0.865575
C 2.079802 -0.036698 0.383406
C 3.007089 -1.071436 0.215008
C 3.872773 1.387073 1.187183
C 1.562907 2.323709 1.035366
C 4.361572 -0.900287 0.534362
C 4.783187 0.338476 1.023562
H -3.917648 1.565676 0.900252
H -0.590566 0.521876 -1.676271
H -4.395842 -0.868156 1.260510
H -1.035522 -1.910312 -1.277284
H -0.445851 4.030135 1.035498
H 1.024820 -0.205097 0.134676
H 4.222347 2.350651 1.562080
H 1.873970 3.130620 1.708396
H 5.066470 -1.726938 0.398737
H 5.834247 0.488663 1.276868


%chk=000223935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223935

0 1
S -1.844318 2.823401 -0.760844
O -3.032145 3.845474 -0.344554
O -1.124453 2.871046 -2.215083
O -4.447371 -3.137728 1.243149
O -2.891064 -3.891836 -0.245123
O 3.879352 -3.068950 -0.860920
O 1.779701 -2.253206 -1.209034
N -0.538545 3.036981 0.675216
N 0.478169 2.161370 0.527283
N -3.503579 -2.950136 0.384355
N 2.973426 -2.162227 -0.723213
C -2.348528 1.040883 -0.405957
C -3.394387 0.831313 0.507119
C -1.665532 0.017649 -1.083379
C -3.094572 -1.542761 0.101283
C -3.779849 -0.500414 0.763727
C -2.046788 -1.314517 -0.817225
C 2.664618 1.237778 0.916784
C 2.350032 0.060075 0.189008
C 3.326493 -0.935249 0.042425
C 3.962744 1.370450 1.482574
C 1.664892 2.303097 1.081511
C 4.623789 -0.818234 0.594756
C 4.928936 0.351953 1.319713
H -3.896034 1.677242 0.986905
H -0.874801 0.252453 -1.801641
H -4.587951 -0.741784 1.458484
H -1.545899 -2.158789 -1.297833
H -0.368957 4.055121 0.827834
H 1.357342 -0.068600 -0.245987
H 4.216250 2.273646 2.050357
H 1.936605 3.183100 1.692550
H 5.349518 -1.622971 0.453844
H 5.923605 0.470774 1.760522


