%chk=000251797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251797

0 1
S -3.116833 1.752992 -1.757650
O 1.704504 0.386104 1.922142
O 0.341705 -2.416942 1.890150
N -0.789997 0.515447 -0.999296
N -2.645056 0.556371 0.561590
N 4.392311 1.173165 1.645586
C 0.069198 -0.375540 -0.171999
C 1.521375 -0.001870 -0.392432
C -0.146989 -1.849070 -0.442849
C 2.296579 0.392329 0.689521
C 2.129059 -0.064030 -1.677792
C 3.677052 0.771936 0.523168
C 4.246149 0.721050 -0.776433
C -0.003154 -2.772437 0.614496
C 3.444009 0.288217 -1.872532
C -2.069858 0.809369 -0.602727
C -0.488233 -2.353586 -1.704836
C -0.194841 -4.155028 0.430038
C -0.680307 -3.721108 -1.904509
C 5.621076 1.109111 -0.905762
C -4.384927 1.786720 -0.553091
C -3.952394 1.101397 0.619137
C -0.534797 -4.618436 -0.835956
C 6.321040 1.505072 0.203557
C 5.662271 1.523816 1.480995
C -5.643204 2.366113 -0.636083
C -4.811250 1.001909 1.724070
C -6.489052 2.259838 0.472161
C -6.074253 1.585883 1.633879
H -0.203435 -0.171923 0.917591
H -0.530273 0.643714 -1.972923
H 1.527222 -0.415904 -2.517665
H 3.893180 0.235836 -2.862896
H -0.614658 -1.672990 -2.545517
H -0.077065 -4.825486 1.278711
H -0.949393 -4.093975 -2.889532
H 6.085200 1.080718 -1.892149
H -0.690125 -5.685076 -0.998993
H 2.336073 0.709107 2.637845
H 7.365410 1.806472 0.144821
H 6.215732 1.839020 2.375173
H -5.966274 2.888301 -1.534713
H -4.484406 0.477583 2.620525
H 0.460276 -1.425362 2.000152
H -7.481813 2.703842 0.436454
H -6.756332 1.519029 2.481969


%chk=000251797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251797

0 1
S -3.057727 2.094536 -1.789981
O 2.021477 0.272380 2.014612
O 0.724463 -2.174360 1.999781
N -0.753160 0.706832 -0.978900
N -2.718432 0.470596 0.366721
N 4.589335 0.837346 1.606600
C 0.083261 -0.139484 -0.098211
C 1.557167 0.165896 -0.376099
C -0.208774 -1.643337 -0.257088
C 2.442903 0.364845 0.684365
C 2.095796 0.209109 -1.707254
C 3.828635 0.651229 0.465398
C 4.344316 0.724809 -0.874389
C 0.127448 -2.549183 0.792494
C 3.441716 0.488269 -1.962254
C -2.065283 0.964442 -0.663677
C -0.807677 -2.157595 -1.430138
C -0.152432 -3.930632 0.653763
C -1.076958 -3.534486 -1.576755
C 5.740857 1.018632 -1.000272
C -4.451516 1.799613 -0.652284
C -4.055228 0.910771 0.403792
C -0.747981 -4.421564 -0.524106
C 6.511916 1.212307 0.151631
C 5.897790 1.112670 1.441798
C -5.752149 2.325682 -0.731449
C -5.001440 0.550092 1.390856
C -6.684267 1.953195 0.267456
C -6.309266 1.074099 1.315924
H -0.149385 0.149400 0.946125
H -0.289244 1.302257 -1.663697
H 1.426615 -0.011948 -2.547479
H 3.816872 0.512492 -2.991065
H -1.094790 -1.455371 -2.221005
H 0.108086 -4.593314 1.484704
H -1.550835 -3.908442 -2.490334
H 6.193994 1.087309 -1.995609
H -0.958536 -5.492858 -0.617676
H 2.842989 0.456155 2.572131
H 7.580430 1.436903 0.084936
H 6.488831 1.258283 2.352221
H -6.046020 3.003288 -1.538971
H -4.698771 -0.130042 2.192386
H 1.045392 -1.226415 2.053513
H -7.704191 2.350002 0.224799
H -7.045723 0.797289 2.078084


