%chk=000230576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230576

0 1
S 1.479923 1.745560 0.133494
O 1.655609 0.298405 3.591864
N -3.880722 -0.292215 -0.150867
N -0.325267 -0.177906 1.052339
N 2.731090 -0.472571 1.765986
C -2.589365 -0.843842 0.368121
C -1.608870 0.343332 0.492461
C 0.596914 0.856833 1.488124
C -5.067572 -0.980729 0.455755
C -3.923238 -0.336075 -1.651244
C 1.670806 0.236478 2.381374
C 2.495079 0.470167 -0.494355
C 3.038706 -0.489120 0.380151
C -5.229002 -0.556924 1.916050
C -4.965409 0.655216 -2.171345
C 2.808320 0.454073 -1.853858
C 3.912752 -1.473898 -0.125326
C 3.679081 -0.519702 -2.349077
C 4.226652 -1.476269 -1.483861
H -2.163517 -1.646163 -0.268674
H -2.734864 -1.297003 1.375383
H -2.040634 1.100319 1.185780
H -1.477859 0.852782 -0.486907
H 0.058232 1.655421 2.073959
H 0.117521 -0.844258 0.408939
H -5.972901 -0.671149 -0.114719
H -5.007979 -2.087848 0.380809
H -2.921716 -0.043769 -2.039008
H -4.131793 -1.353654 -2.046669
H -4.405535 -0.918089 2.543691
H -5.238851 0.537991 2.006325
H -6.164640 -0.938770 2.336050
H -5.987077 0.345599 -1.923495
H -4.817452 1.647893 -1.723565
H -4.899575 0.761957 -3.258530
H 3.370860 -0.969317 2.396589
H 2.380402 1.199796 -2.527048
H 4.340699 -2.224445 0.535655
H 3.933030 -0.534913 -3.407111
H 4.906164 -2.233795 -1.876843


%chk=000230576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230576

0 1
S 1.551830 1.998973 0.221815
O 1.901814 0.358358 3.720489
N -3.806813 -0.361480 -0.114329
N -0.272989 -0.057040 1.218810
N 2.741523 -0.460452 1.716758
C -2.547260 -0.776477 0.544794
C -1.566058 0.406887 0.676851
C 0.665435 0.898405 1.675018
C -5.006013 -1.070380 0.409022
C -3.712196 -0.383370 -1.600106
C 1.817020 0.274919 2.462466
C 2.430146 0.582786 -0.513769
C 2.917443 -0.478763 0.304683
C -5.435681 -0.569200 1.801023
C -4.686198 0.596773 -2.281148
C 2.678749 0.549017 -1.907175
C 3.645394 -1.544835 -0.284926
C 3.420280 -0.503656 -2.485681
C 3.904505 -1.554171 -1.669883
H -2.047020 -1.616471 -0.004960
H -2.768482 -1.156344 1.557251
H -1.994629 1.151711 1.370783
H -1.435888 0.913063 -0.305071
H 0.193650 1.683152 2.282658
H 0.125073 -0.871014 0.735882
H -5.835511 -0.892923 -0.299109
H -4.846338 -2.178464 0.436455
H -2.679411 -0.099038 -1.876188
H -3.872076 -1.417054 -2.000500
H -4.647306 -0.728147 2.559236
H -5.656555 0.511571 1.762767
H -6.340396 -1.105809 2.142846
H -5.740499 0.355180 -2.055314
H -4.492524 1.626614 -1.934480
H -4.563734 0.561827 -3.379874
H 3.418839 -0.979252 2.284939
H 2.294192 1.361831 -2.532411
H 4.007822 -2.362480 0.350384
H 3.613330 -0.505957 -3.563384
H 4.474537 -2.378894 -2.110223


