%chk=000188880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188880

0 1
S 2.479405 1.308313 0.420145
O 2.517292 -0.844870 -1.080828
N 0.538245 -0.548866 0.075158
C -0.282908 0.284940 1.010886
C -0.053408 -1.859191 -0.392401
C -1.671892 0.481558 0.413644
C -0.272729 -0.341346 2.408559
C 0.822571 -3.028595 0.065273
C -0.220663 -1.837153 -1.913404
C 1.818198 -0.218778 -0.312495
C -1.783488 1.270442 -0.744672
C -2.826191 -0.071800 0.980180
C -3.032769 1.502700 -1.322049
C -4.077941 0.165880 0.400970
C -4.184589 0.951679 -0.748879
C 4.111632 1.426199 -0.400508
C 5.160878 1.621606 0.668120
H 0.164690 1.318835 1.098117
H -1.064806 -1.952901 0.086314
H -0.854891 0.262050 3.115185
H 0.752479 -0.401827 2.799880
H -0.676760 -1.359749 2.419450
H 0.371759 -3.988000 -0.207080
H 1.817608 -2.992003 -0.407708
H 0.980398 -3.022768 1.148339
H -0.680481 -2.762448 -2.273916
H 0.750553 -1.733648 -2.422375
H -0.849947 -0.999673 -2.236794
H -0.888762 1.699671 -1.197352
H -2.765086 -0.689760 1.874324
H -3.110896 2.114855 -2.219291
H -4.971038 -0.265452 0.850229
H -5.158690 1.135315 -1.197976
H 4.292316 0.502651 -0.997290
H 4.074122 2.272353 -1.111413
H 4.989783 2.526451 1.266571
H 5.201765 0.773880 1.367281
H 6.161038 1.715549 0.221206


%chk=000188880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188880

0 1
S 2.249391 1.714371 0.280438
O 2.577905 -0.674564 -1.070921
N 0.569270 -0.508646 0.118650
C -0.315732 0.246187 1.065270
C 0.101869 -1.872257 -0.326026
C -1.694922 0.493828 0.429928
C -0.342465 -0.433866 2.450305
C 1.022217 -2.997394 0.200933
C -0.092207 -1.942502 -1.857801
C 1.787297 -0.041360 -0.318758
C -1.763833 1.282323 -0.749590
C -2.896835 -0.018483 0.974949
C -3.001842 1.548548 -1.369994
C -4.140823 0.243868 0.353092
C -4.198053 1.026412 -0.820772
C 3.991797 1.767175 -0.463679
C 5.060781 1.253923 0.509550
H 0.151796 1.238174 1.204129
H -0.894324 -1.985404 0.141734
H -0.945135 0.160638 3.159910
H 0.685518 -0.503257 2.844622
H -0.765036 -1.453842 2.411218
H 0.586698 -3.980848 -0.055078
H 2.021867 -2.927089 -0.257459
H 1.132328 -2.942845 1.298679
H -0.530234 -2.921020 -2.127970
H 0.872236 -1.833852 -2.379416
H -0.779204 -1.149359 -2.200216
H -0.837607 1.687471 -1.175971
H -2.874157 -0.619985 1.889846
H -3.037182 2.162751 -2.276825
H -5.062145 -0.160906 0.787180
H -5.161259 1.231615 -1.301167
H 3.941786 1.142189 -1.370827
H 4.142439 2.823225 -0.743292
H 5.067248 1.832404 1.449975
H 4.883796 0.192176 0.752036
H 6.063552 1.336298 0.046720


