%chk=000250739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250739

0 1
S -1.035355 -2.890203 0.215881
O 1.654351 2.104172 -0.685377
O 2.129531 -2.419072 0.116581
N -0.279762 0.878536 -0.462466
N 1.923463 -0.165529 -0.290316
N -2.248197 -0.562031 -0.174842
N -3.743465 -2.404321 0.161364
C -1.110937 2.114559 -0.612266
C -0.860338 -0.357748 -0.223920
C 1.164484 1.011150 -0.480276
C -0.059696 -1.493521 -0.031955
C -1.512393 2.673842 0.760284
C 1.369367 -1.488136 -0.040932
C 3.416378 -0.003128 -0.257324
C -2.315751 3.960095 0.600859
C 3.889650 0.465249 1.112880
C -2.500028 -1.872863 0.052538
H -2.012131 1.861936 -1.216563
H -0.513488 2.864094 -1.184923
H -2.107073 1.919534 1.315616
H -0.607779 2.864900 1.372208
H 3.867154 -0.991750 -0.515136
H 3.708391 0.726796 -1.047059
H -3.235621 3.798106 0.026733
H -2.609115 4.361850 1.578424
H -1.738014 4.740511 0.090570
H 3.476806 1.450067 1.369538
H 3.598409 -0.235625 1.905807
H 4.982663 0.551827 1.138327
H -3.886037 -3.388688 0.313855
H -4.561965 -1.819706 0.056391


%chk=000250739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250739

0 1
S -1.032440 -2.996801 0.217533
O 1.641161 2.184194 -0.594991
O 2.201906 -2.441914 0.131095
N -0.282693 0.861855 -0.424902
N 1.909886 -0.126513 -0.258984
N -2.216110 -0.589531 -0.174228
N -3.760013 -2.379087 0.119159
C -1.142908 2.064104 -0.587748
C -0.838770 -0.391996 -0.210712
C 1.127503 1.039562 -0.432717
C -0.025042 -1.513983 -0.028365
C -1.478294 2.735693 0.761462
C 1.411569 -1.463723 -0.034238
C 3.389521 0.052359 -0.263023
C -2.357735 3.986892 0.556232
C 3.934636 0.382327 1.139715
C -2.489339 -1.879404 0.035845
H -2.066213 1.742034 -1.097783
H -0.589449 2.767946 -1.231602
H -2.001002 2.007036 1.409749
H -0.534667 3.016102 1.265433
H 3.816632 -0.895310 -0.629078
H 3.618018 0.866782 -0.969008
H -3.314029 3.728856 0.063074
H -2.595896 4.465120 1.522944
H -1.842963 4.737176 -0.072440
H 3.507197 1.328168 1.514713
H 3.702398 -0.429568 1.850046
H 5.033044 0.495785 1.095233
H -3.942048 -3.365682 0.279599
H -4.540356 -1.733575 0.012488


