%chk=000251610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251610

0 1
S -2.960541 2.528149 -0.439756
S 2.960541 -2.528207 -0.439250
O -3.549108 3.765722 0.016054
O -2.262148 2.437316 -1.696469
O 3.549090 -3.765706 0.016783
O 2.262189 -2.437579 -1.696001
O -8.150218 -1.541730 0.413187
O 8.150212 1.541788 0.413180
O -6.895162 -2.829961 -0.792477
O 6.895190 2.829834 -0.792716
N -1.900441 2.095011 0.839150
N 1.900401 -2.094856 0.839551
N -7.134741 -1.785005 -0.214519
N 7.134750 1.784969 -0.214587
C -0.933517 1.048804 0.794506
C 0.933479 -1.048654 0.794705
C -4.167422 1.270533 -0.383509
C 4.167424 -1.270586 -0.383170
C -0.463559 0.518068 2.015953
C 0.463487 -0.517716 2.016052
C -0.455337 0.527267 -0.420527
C 0.455332 -0.527318 -0.420427
C -3.940160 0.052996 -1.028508
C 3.940184 -0.053150 -1.028369
C -5.361132 1.504222 0.304990
C 5.361115 -1.504169 0.305396
C -4.909278 -0.955123 -0.977975
C 4.909304 0.954973 -0.977970
C -6.339793 0.507618 0.363817
C 6.339778 -0.507560 0.364092
C -6.097012 -0.713482 -0.277800
C 6.097019 0.713440 -0.277726
H -1.868318 2.684137 1.681595
H 1.868251 -2.683842 1.682093
H -0.824532 0.916253 2.963219
H 0.824433 -0.915744 2.963394
H -0.769044 0.952334 -1.382662
H 0.769064 -0.952546 -1.382484
H -3.010419 -0.122375 -1.584234
H 3.010457 0.122137 -1.584147
H -5.541108 2.471504 0.793456
H 5.541075 -2.471375 0.794021
H -4.748339 -1.918373 -1.476720
H 4.748382 1.918145 -1.476872
H -7.282651 0.671377 0.898527
H 7.282622 -0.671238 0.898852


%chk=000251610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251610

0 1
S -3.160551 2.538282 -1.236446
S 3.161685 -2.541175 -1.228309
O -3.742400 3.986786 -0.793040
O -2.953480 2.075268 -2.775225
O 3.743574 -3.988571 -0.781336
O 2.955571 -2.081600 -2.768250
O -7.312767 -1.385256 2.507927
O 7.310657 1.391298 2.510288
O -6.582763 -2.938012 1.003087
O 6.581701 2.940557 1.001344
N -1.369970 2.479858 -0.415106
N 1.370424 -2.481226 -0.408257
N -6.613308 -1.743214 1.485660
N 6.611906 1.746881 1.486705
C -0.714882 1.229542 -0.379983
C 0.715240 -1.230858 -0.376546
C -4.235610 1.208209 -0.403123
C 4.235940 -1.209057 -0.397195
C -0.375875 0.593620 0.852585
C 0.376063 -0.591577 0.854237
C -0.338653 0.610729 -1.612726
C 0.339166 -0.615399 -1.611013
C -4.210122 -0.094585 -0.931317
C 4.210689 0.092543 -0.928338
C -5.009544 1.595357 0.705108
C 5.009086 -1.593613 0.712486
C -5.002764 -1.076544 -0.300976
C 5.002759 1.076009 -0.299624
C -5.805397 0.613333 1.329582
C 5.804359 -0.610094 1.335346
C -5.778039 -0.703467 0.818582
C 5.777237 0.705547 0.821353
H -1.512203 2.934514 0.505439
H 1.512288 -2.933482 0.513534
H -0.673585 1.053298 1.803052
H 0.673647 -1.048673 1.805988
H -0.598357 1.105632 -2.553134
H 0.598980 -1.112861 -2.550037
H -3.613610 -0.325298 -1.819011
H 3.614807 0.321189 -1.816990
H -5.012892 2.636652 1.043046
H 5.012295 -2.634148 1.052761
H -5.032285 -2.108160 -0.660429
H 5.032431 2.106816 -0.661380
H -6.440012 0.846229 2.188310
H 6.438362 -0.840977 2.195067


