%chk=000246996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246996

0 1
S -4.333665 0.429585 0.778244
O -1.689176 2.334338 -0.382945
O 4.925903 0.889196 0.450585
O 4.824081 -1.270708 0.437348
N -1.295182 0.061220 -0.571929
N 4.314678 -0.163503 0.355424
N -3.651364 -2.334064 0.888154
C 0.747756 -1.243463 -0.209360
C 0.110321 0.028849 -0.322785
C 2.123183 -1.284148 0.011795
C 0.860495 1.212524 -0.202216
C 2.860887 -0.093221 0.123940
C 2.233019 1.155523 0.021030
C -0.014599 -2.523447 -0.314086
C -2.113121 1.213491 -0.553162
C -3.582601 0.925999 -0.782199
C -3.923437 -1.214037 0.818267
H 2.646033 -2.244445 0.103220
H 0.369542 2.192478 -0.278590
H -1.737914 -0.851193 -0.723400
H 2.823068 2.074816 0.115567
H 0.626383 -3.404266 -0.150399
H -0.813016 -2.595073 0.442119
H -0.463515 -2.657641 -1.308439
H -4.090298 1.873156 -1.098231
H -3.776062 0.216836 -1.610251


%chk=000246996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246996

0 1
S -4.511565 0.405672 0.781550
O -1.737732 2.421254 -0.586163
O 4.995149 0.893869 0.517848
O 4.851891 -1.382952 0.449508
N -1.288836 0.104417 -0.537022
N 4.324652 -0.203334 0.385546
N -3.381667 -2.291808 1.087541
C 0.730514 -1.227220 -0.231614
C 0.113301 0.067354 -0.307504
C 2.117199 -1.289660 -0.001205
C 0.884077 1.253823 -0.160140
C 2.869663 -0.103852 0.146503
C 2.267227 1.168625 0.068561
C -0.076318 -2.502880 -0.398225
C -2.121984 1.218724 -0.643228
C -3.599789 0.879483 -0.856484
C -3.854063 -1.195564 0.962689
H 2.630882 -2.252528 0.066120
H 0.389757 2.223481 -0.228198
H -1.745507 -0.811845 -0.578844
H 2.880181 2.065608 0.186140
H 0.573842 -3.386147 -0.296871
H -0.877206 -2.604832 0.360773
H -0.548928 -2.565876 -1.399078
H -4.126577 1.788111 -1.182698
H -3.776762 0.056879 -1.567806


