%chk=000240880.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240880

0 1
S -0.542707 1.134788 -0.206136
N 3.474480 -1.842849 0.580500
N 1.629429 -0.412370 0.136560
N 1.962192 1.950112 -0.338332
C -2.730889 -0.279995 0.085686
C -1.257499 -0.506218 0.143391
C 3.893648 0.508740 -0.017655
C 2.996184 -0.590138 0.207630
C 1.190283 0.851534 -0.121797
C -3.422013 -0.430874 -1.127707
C -3.435686 0.084366 1.244704
C 3.312619 1.752578 -0.282321
C 5.372069 0.344450 0.040598
C -4.802807 -0.223903 -1.176885
C -4.816403 0.289793 1.188415
C -5.502592 0.135083 -0.020420
C 2.559773 -3.003904 0.640456
H -0.912069 -0.876745 1.129204
H -0.901382 -1.249494 -0.597436
H -2.881574 -0.702942 -2.033091
H -2.905764 0.213673 2.187311
H 3.926593 2.644348 -0.461569
H 5.899752 1.293840 -0.132713
H 5.697926 -0.017094 1.027647
H 5.735164 -0.358305 -0.722294
H 4.439295 -2.064255 0.350256
H -5.334327 -0.340376 -2.120010
H -5.358528 0.573748 2.089026
H -6.577787 0.296230 -0.061575
H 1.652392 -2.744402 1.221509
H 3.064594 -3.839123 1.150608
H 2.222733 -3.333395 -0.357059


%chk=000240880-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240880

0 1
S -0.485949 1.384846 -0.231233
N 3.397865 -1.846858 0.446332
N 1.663569 -0.297933 0.123781
N 2.113582 2.047931 -0.357511
C -2.751634 -0.235931 0.084513
C -1.246199 -0.335549 0.138364
C 3.984887 0.490275 -0.029339
C 3.010751 -0.550157 0.180109
C 1.291272 0.984021 -0.141380
C -3.446174 -0.442307 -1.135921
C -3.499401 0.069074 1.251530
C 3.454170 1.765071 -0.293802
C 5.471297 0.221403 0.032495
C -4.854825 -0.352166 -1.188512
C -4.908324 0.159922 1.202351
C -5.590711 -0.051194 -0.018489
C 2.436979 -2.933829 0.664758
H -0.872262 -0.633529 1.129637
H -0.835172 -1.023602 -0.615792
H -2.877506 -0.670146 -2.045573
H -2.972359 0.238526 2.198246
H 4.125791 2.615193 -0.465774
H 6.042179 1.148253 -0.147434
H 5.781775 -0.167353 1.023643
H 5.792363 -0.514923 -0.732148
H 4.394137 -2.050786 0.490640
H -5.377246 -0.515530 -2.137878
H -5.472137 0.394608 2.112266
H -6.683633 0.018631 -0.057849
H 1.780668 -2.717580 1.526738
H 2.991871 -3.867023 0.857609
H 1.787474 -3.074454 -0.217873


