%chk=000250565.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250565

0 1
S 0.763512 -1.640089 -0.080754
O 1.181754 -2.955248 -0.527841
O -0.345917 -1.552413 0.854201
N -2.525587 -0.142729 -1.677876
N 0.332169 -0.783464 -1.539488
C -2.020999 -1.543018 -1.859943
C -0.589705 -1.551959 -2.422504
C -1.549893 0.852198 -1.359219
C -0.153285 0.566163 -1.345975
C -3.765879 -0.114112 -0.839368
C -3.500666 -0.289690 0.664274
C -1.957948 2.189890 -1.171431
C 0.784023 1.597723 -1.205989
C -4.794001 -0.588336 1.429843
C 2.115485 -0.760280 0.534338
C -1.014268 3.201651 -1.004254
C 0.354074 2.913227 -1.024212
C -4.535626 -0.729939 2.928341
C 1.937008 0.147009 1.584124
C 3.387720 -0.972812 -0.006383
C 3.033493 0.852395 2.088208
C 4.484452 -0.266793 0.496883
C 4.305485 0.645510 1.542788
H -2.713644 -2.040658 -2.575250
H -2.064258 -2.123904 -0.906678
H -0.212037 -2.594439 -2.539983
H -0.562186 -1.087943 -3.436540
H -4.283146 0.852181 -1.033298
H -4.448653 -0.907098 -1.215594
H -3.014811 0.618589 1.071171
H -2.753922 -1.098122 0.839375
H -3.019012 2.435269 -1.170772
H 1.849852 1.369521 -1.240672
H -5.254811 -1.519147 1.044018
H -5.534686 0.215836 1.253105
H -1.348668 4.228915 -0.862660
H 1.082748 3.710951 -0.906505
H -4.134862 0.194878 3.358386
H -5.454953 -0.976542 3.469724
H -3.806482 -1.523691 3.135404
H 0.940218 0.301885 2.014294
H 3.528924 -1.695603 -0.817448
H 2.896790 1.559769 2.904917
H 5.476158 -0.430356 0.077584
H 5.161442 1.195825 1.936060


%chk=000250565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250565

0 1
S 1.417491 -1.014401 0.443137
O 1.271623 -2.657589 0.233740
O 0.810614 -0.299561 1.803682
N -2.478771 -0.207442 -1.050058
N 0.397176 -0.023190 -1.461170
C -1.672538 -1.450819 -1.105090
C -0.378793 -1.209810 -1.904612
C -1.815890 0.988344 -0.837967
C -0.360544 1.036544 -0.995948
C -3.939674 -0.345391 -0.891916
C -4.396985 -0.558692 0.574035
C -2.498141 2.201486 -0.504446
C 0.326185 2.268626 -0.732588
C -5.931032 -0.707074 0.683507
C 3.277776 -0.661695 0.463048
C -1.786549 3.386501 -0.277465
C -0.362624 3.428204 -0.378445
C -6.402378 -0.923249 2.137656
C 3.724427 0.463810 1.176846
C 4.134744 -1.533335 -0.229676
C 5.113744 0.729327 1.187927
C 5.520755 -1.251475 -0.207568
C 6.006220 -0.122051 0.493875
H -2.276501 -2.239385 -1.588713
H -1.411611 -1.798212 -0.084738
H 0.265938 -2.103267 -1.804642
H -0.592605 -1.056710 -2.982748
H -4.440075 0.542936 -1.320383
H -4.258598 -1.212057 -1.502254
H -4.056020 0.292306 1.195088
H -3.905900 -1.463235 0.983681
H -3.585026 2.206321 -0.386086
H 1.415060 2.261035 -0.852118
H -6.265252 -1.558857 0.056057
H -6.420264 0.197758 0.267060
H -2.337332 4.293952 -0.004704
H 0.176163 4.361036 -0.186619
H -6.109201 -0.072586 2.780674
H -7.501289 -1.026939 2.193481
H -5.953552 -1.837601 2.568304
H 3.008696 1.083160 1.727866
H 3.731790 -2.413646 -0.740582
H 5.495885 1.593693 1.741655
H 6.217058 -1.914905 -0.731701
H 7.081197 0.089137 0.507317


