%chk=000244962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244962

0 1
S -0.032675 0.381826 0.667968
S 1.297072 -2.032314 -0.529632
O -2.476662 1.162043 1.057171
N 2.589320 0.016603 0.561231
N -3.834043 -0.505891 0.299516
C 3.890429 -0.640416 0.220689
C 2.693951 1.327442 1.269806
C 1.415929 -0.550484 0.234765
C 4.347302 -1.564202 1.344247
C 2.651424 2.495405 0.290355
C -1.366414 -0.740634 0.159569
C -2.586438 0.052772 0.544396
C -5.057604 0.239133 0.668767
C -4.009160 -1.839775 -0.308715
H 3.783737 -1.216611 -0.733088
H 4.645001 0.153459 0.025902
H 1.885811 1.421824 2.035087
H 3.647778 1.341207 1.847087
H 4.467683 -1.040367 2.297966
H 3.623547 -2.378832 1.506976
H 5.305870 -2.035112 1.095272
H 3.457585 2.444498 -0.450935
H 1.704289 2.531212 -0.268748
H 2.744580 3.452144 0.819247
H -1.293778 -1.720156 0.677445
H -1.311613 -0.967553 -0.926818
H -5.650734 -0.320692 1.409453
H -5.678084 0.439079 -0.219505
H -4.783381 1.216059 1.119568
H -3.533496 -1.887472 -1.304725
H -5.077290 -2.078350 -0.441170
H -3.568533 -2.628042 0.327552


%chk=000244962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244962

0 1
S -0.023674 0.568863 0.808191
S 1.181229 -2.027545 -0.502373
O -2.790131 1.317975 1.146180
N 2.621889 0.046288 0.547587
N -3.921053 -0.551057 0.332158
C 3.873881 -0.647824 0.137206
C 2.804576 1.346477 1.250524
C 1.397954 -0.508194 0.270850
C 4.386075 -1.620402 1.219157
C 2.854073 2.551036 0.285993
C -1.440741 -0.579010 0.361855
C -2.760074 0.148161 0.648278
C -5.225323 0.090341 0.572296
C -3.967737 -1.899325 -0.253431
H 3.664415 -1.200198 -0.794694
H 4.626285 0.133958 -0.077484
H 1.991398 1.476038 1.986914
H 3.747497 1.273955 1.823125
H 4.581532 -1.099405 2.174279
H 3.641476 -2.414926 1.394122
H 5.328435 -2.092425 0.886340
H 3.671258 2.440752 -0.449659
H 1.902099 2.653860 -0.261316
H 3.027704 3.482485 0.855003
H -1.330546 -1.501227 0.956485
H -1.321289 -0.853255 -0.699488
H -5.833097 -0.516155 1.270955
H -5.784196 0.203439 -0.376826
H -5.045858 1.083715 1.010123
H -2.962423 -2.331847 -0.355113
H -4.435679 -1.872479 -1.257434
H -4.568552 -2.574268 0.386899


