%chk=000234716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234716

0 1
S 2.315126 1.109251 1.359169
O -4.953623 0.065634 0.299787
O -4.054035 -1.909864 0.950639
O 2.171165 2.483144 0.957517
O 3.006433 0.794841 2.597674
N 0.722355 0.477442 1.769320
N -1.585072 0.031836 1.414117
N -0.130023 0.758516 -0.425351
N 4.351253 -2.277188 -3.002204
C 2.901683 0.137492 0.100204
C -2.617574 -0.019915 0.528556
C -0.358878 0.427291 0.901598
C -3.938868 -0.484978 1.134843
C -2.472696 0.309507 -0.821043
C -1.195319 0.701654 -1.272225
C 2.710581 0.517330 -1.239777
C 3.597260 -1.049454 0.390987
C 3.202166 -0.262445 -2.277537
C 4.096758 -1.849844 -0.623267
C 3.895379 -1.462421 -1.976047
C -0.957042 1.072658 -2.695909
C -6.299564 -0.280463 0.699050
C -3.564480 -2.691210 2.058614
H 0.519468 0.228720 2.753406
H -4.076331 -0.197272 2.196227
H -3.331175 0.261510 -1.489086
H 2.170177 1.447626 -1.465877
H 3.755821 -1.340419 1.437668
H 3.048259 0.040589 -3.307975
H 4.630836 -2.764842 -0.387131
H 0.108096 1.251471 -2.911511
H -1.307406 0.285017 -3.379084
H -1.497806 1.997681 -2.952772
H 4.324760 -1.964879 -3.956350
H 4.945055 -3.063788 -2.808828
H -6.535586 0.178995 1.662100
H -6.413931 -1.369621 0.729177
H -6.900219 0.156093 -0.107726
H -2.515214 -2.448870 2.264567
H -3.659975 -3.718293 1.685537
H -4.189916 -2.533833 2.941344


%chk=000234716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234716

0 1
S 2.188280 0.979083 1.319029
O -5.209145 0.165348 0.380304
O -4.307538 -1.918365 0.998207
O 1.959924 2.503491 0.823142
O 2.909327 0.654963 2.742921
N 0.559324 0.124659 1.598695
N -1.751788 -0.064946 1.330343
N -0.321175 0.599071 -0.541293
N 5.083786 -2.131369 -2.976859
C 3.030979 0.001130 -0.016939
C -2.828584 -0.024854 0.492010
C -0.540425 0.238090 0.756620
C -4.146995 -0.450762 1.113006
C -2.714020 0.345810 -0.866975
C -1.423436 0.665034 -1.354035
C 2.877899 0.400509 -1.356364
C 3.843962 -1.077106 0.376699
C 3.571264 -0.315510 -2.345470
C 4.530384 -1.792056 -0.618798
C 4.402817 -1.424216 -1.994067
C -1.178496 1.100215 -2.778382
C -6.540493 -0.102441 0.945798
C -3.682438 -2.666497 2.097635
H 0.389084 -0.029712 2.600167
H -4.166029 -0.178926 2.195939
H -3.602628 0.392678 -1.496923
H 2.227243 1.243470 -1.603806
H 3.948989 -1.330045 1.436464
H 3.473011 -0.022228 -3.396931
H 5.172966 -2.634181 -0.337726
H -0.396825 0.470354 -3.239533
H -2.095803 1.038939 -3.385562
H -0.809036 2.142030 -2.797017
H 5.005861 -1.871782 -3.956076
H 5.681141 -2.917267 -2.736224
H -6.606170 0.271990 1.988521
H -6.762021 -1.183386 0.922947
H -7.248963 0.448571 0.309509
H -2.581370 -2.562169 2.083408
H -3.963522 -3.719104 1.936542
H -4.061442 -2.323810 3.083475


