%chk=000239998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239998

0 1
S 1.486142 -0.053715 1.318493
O -1.353426 -0.747219 -2.223866
O -2.629263 1.056591 1.851236
O -1.926957 2.986143 -0.901147
O 2.704209 1.539941 -0.375954
N -1.675704 0.328250 -0.171361
N 0.306372 3.318987 -1.134639
C -0.447467 1.143864 -0.226021
C -3.439235 -1.003396 -0.934294
C -3.834162 -0.424750 0.303925
C -2.062563 -0.521917 -1.279727
C -2.721135 0.441777 0.821850
C 0.245485 1.253379 1.130269
C -0.796156 2.558411 -0.771106
C -4.277324 -1.849659 -1.627955
C -5.070678 -0.686975 0.852846
C -5.547649 -2.121912 -1.066133
C -5.934676 -1.554444 0.142291
C 2.835514 0.547211 0.291243
C 4.008169 -0.343567 0.362401
C 4.728711 -0.590342 -0.819848
C 4.411442 -0.932382 1.570062
C 5.837552 -1.437327 -0.793072
C 5.527053 -1.774809 1.588692
C 6.235903 -2.030523 0.410618
H 0.232062 0.651278 -0.990403
H 0.721301 2.247036 1.271555
H -0.472182 1.156689 1.982175
H -3.978461 -2.293967 -2.578195
H -5.378751 -0.241179 1.799695
H -6.228338 -2.787299 -1.599668
H -6.919875 -1.773252 0.557523
H 1.260601 2.983423 -1.069491
H 0.173503 4.238855 -1.526277
H 4.416896 -0.117062 -1.753476
H 3.872067 -0.732780 2.498814
H 6.393669 -1.634433 -1.709104
H 5.843102 -2.233386 2.525283
H 7.102647 -2.691938 0.429665


%chk=000239998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239998

0 1
S 1.430630 -0.066467 1.527551
O -1.300456 -1.122489 -1.983495
O -2.809469 1.491746 1.638196
O -1.935392 2.828430 -1.325358
O 2.655486 1.461387 -0.376886
N -1.729137 0.331399 -0.149860
N 0.379635 3.148313 -1.296712
C -0.492201 1.098409 -0.266219
C -3.475486 -1.085065 -0.769221
C -3.928062 -0.284517 0.306602
C -2.070895 -0.689304 -1.092623
C -2.824088 0.641895 0.713941
C 0.219056 1.314810 1.093561
C -0.773995 2.454535 -1.006504
C -4.300820 -2.053229 -1.360367
C -5.221684 -0.424946 0.829624
C -5.612816 -2.201923 -0.840437
C -6.066276 -1.399816 0.237849
C 2.792141 0.451346 0.369784
C 4.022159 -0.386436 0.387466
C 5.081631 -0.025822 -0.491119
C 4.171091 -1.514518 1.238392
C 6.269640 -0.782091 -0.515588
C 5.361829 -2.268148 1.210213
C 6.412902 -1.904518 0.334955
H 0.156965 0.512553 -0.945923
H 0.805629 2.244581 1.081389
H -0.502642 1.356306 1.921883
H -3.940174 -2.664187 -2.193593
H -5.561084 0.201958 1.659912
H -6.288311 -2.944644 -1.278246
H -7.085290 -1.535169 0.615891
H 1.302170 2.753038 -1.076662
H 0.301326 4.026900 -1.807415
H 4.950482 0.844842 -1.141419
H 3.363111 -1.804792 1.918801
H 7.081871 -0.500991 -1.194163
H 5.472034 -3.136970 1.867308
H 7.336886 -2.492803 0.315390


