%chk=000250776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250776

0 1
S -1.122897 3.019435 0.858335
O 1.362234 -1.722781 -1.306058
O 1.741121 2.658153 0.084562
O -4.540063 1.502461 0.484756
N -0.562495 -0.640150 -0.666045
N 1.597682 0.482980 -0.620641
N -2.567877 0.519119 0.041942
C -1.328108 -1.893958 -0.949847
C -1.173344 0.513824 -0.148578
C 3.083827 0.427569 -0.825891
C 0.876078 -0.692656 -0.883753
C -1.609052 -2.681680 0.336038
C -0.410447 1.628544 0.118425
C 3.781698 -0.181535 0.396803
C 1.011545 1.713295 -0.105761
C -2.535971 -3.871315 0.052289
C 5.303949 -0.188561 0.203622
C -2.717504 3.023045 0.006731
C -3.378394 1.702953 0.219648
C -2.828425 -4.663972 1.322928
C 6.016518 -0.796917 1.408902
H -2.260631 -1.639443 -1.498211
H -0.715302 -2.519126 -1.651524
H 3.295429 -0.168806 -1.742069
H 3.437722 1.471246 -1.005254
H -2.048627 -2.036708 1.120507
H -0.651629 -3.044863 0.766703
H 3.416749 -1.214187 0.567266
H 3.519263 0.390750 1.308976
H -2.073139 -4.538403 -0.703335
H -3.487047 -3.519493 -0.393942
H 5.668561 0.845093 0.038225
H 5.567022 -0.756775 -0.710673
H -3.069661 -0.378825 0.111164
H -2.608907 3.252781 -1.074805
H -3.334305 3.848142 0.430978
H -3.324382 -4.049752 2.083620
H -3.485787 -5.516811 1.114228
H -1.911485 -5.064079 1.772530
H 5.707080 -1.834313 1.581021
H 7.103224 -0.798434 1.266179
H 5.808080 -0.235748 2.327410


%chk=000250776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250776

0 1
S -1.016757 3.307695 0.693168
O 1.261338 -1.852821 -1.193869
O 1.890069 2.643402 0.012189
O -4.535988 1.626324 0.731440
N -0.610761 -0.585806 -0.581861
N 1.576061 0.399745 -0.613159
N -2.513669 0.623881 0.221387
C -1.462515 -1.771140 -0.879958
C -1.143429 0.618453 -0.098924
C 3.042953 0.266048 -0.837423
C 0.786976 -0.743785 -0.813210
C -1.699752 -2.691227 0.340454
C -0.342758 1.737758 0.062325
C 3.797584 -0.137665 0.447173
C 1.091091 1.677614 -0.172704
C -2.538529 -3.931101 -0.044908
C 5.317737 -0.257684 0.196325
C -2.726387 3.076455 -0.087961
C -3.347044 1.755519 0.336691
C -2.781084 -4.873915 1.152790
C 6.094987 -0.650882 1.470721
H -2.414961 -1.418359 -1.317535
H -0.924892 -2.344861 -1.652709
H 3.186780 -0.494043 -1.623102
H 3.399351 1.247754 -1.192566
H -2.206613 -2.148179 1.166232
H -0.716665 -3.012361 0.732705
H 3.405085 -1.106206 0.813725
H 3.609790 0.620594 1.231185
H -2.016390 -4.482987 -0.851782
H -3.513075 -3.607371 -0.464918
H 5.702860 0.708382 -0.188323
H 5.501877 -1.010140 -0.597339
H -2.970128 -0.260238 0.464220
H -2.621826 3.130684 -1.185612
H -3.360457 3.898195 0.271862
H -3.327284 -4.357324 1.964195
H -3.376969 -5.754864 0.853776
H -1.824350 -5.238914 1.569888
H 5.747365 -1.625235 1.862603
H 7.179154 -0.733621 1.271996
H 5.953529 0.102325 2.268216


