%chk=000194906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194906

0 1
O -2.253190 0.730862 1.995614
O 0.221907 2.906093 -0.820999
O -1.677970 1.781127 -1.312284
O -4.006727 -2.866818 0.100391
N 1.342596 0.597087 0.825639
N -2.492788 -1.169222 -0.341508
N -4.526583 -1.392855 -1.584967
C -0.349658 -0.936721 0.726758
C -1.738044 -1.447236 0.910927
C -0.003224 0.349455 1.133408
C -0.934477 1.303782 1.810533
C 0.805153 -1.529198 0.117405
C -2.350151 -0.702690 2.126940
C 1.846488 -0.539250 0.163240
C -1.226649 2.565889 0.974318
C 3.127588 -0.775253 -0.397993
C 1.067692 -2.784606 -0.468844
C 4.178424 0.297984 -0.399895
C 3.341909 -2.023581 -0.957790
C 2.325449 -3.017406 -0.989012
C -0.989083 2.341911 -0.493194
C -3.693865 -1.878130 -0.551888
C 4.806843 0.485242 0.979134
C 0.703477 2.739086 -2.201076
C 2.195909 2.969919 -2.106675
H -1.761085 -2.556238 1.102035
H -0.572763 1.578525 2.829774
H -3.448027 -0.836627 2.194111
H -1.869612 -1.013403 3.069066
H 1.797555 1.489397 0.887830
H -0.630424 3.425528 1.343008
H -2.302044 2.839755 1.126604
H -2.394359 -0.206044 -0.694906
H 0.281561 -3.536408 -0.505623
H 4.972479 0.058603 -1.138234
H 3.729678 1.256971 -0.758462
H 4.309810 -2.265170 -1.394934
H 2.559191 -3.978863 -1.443917
H 5.307864 -0.434086 1.311251
H 5.555759 1.284498 0.972247
H 4.060342 0.728798 1.743054
H -5.243365 -2.027001 -1.913979
H -4.163052 -0.772016 -2.291148
H 0.178619 3.499284 -2.804143
H 0.433375 1.724897 -2.548391
H 2.651717 3.006883 -3.104423
H 2.422450 3.918053 -1.599781
H 2.703503 2.168197 -1.538521


%chk=000194906-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194906

0 1
O -2.171035 0.934229 2.202488
O -0.014922 2.899005 -0.954361
O -2.146684 1.989030 -0.772099
O -2.599347 -3.085052 -0.988958
N 1.444614 0.576511 1.067232
N -2.658122 -0.900837 -0.132147
N -3.612703 -1.378471 -2.220570
C -0.369386 -0.788964 0.833923
C -1.804204 -1.233729 1.023995
C 0.078672 0.421944 1.353088
C -0.790018 1.438815 2.048878
C 0.751883 -1.416891 0.164789
C -2.322149 -0.538086 2.299106
C 1.880457 -0.537670 0.325698
C -0.940486 2.774086 1.251135
C 3.163262 -0.821820 -0.208338
C 0.901960 -2.625355 -0.565995
C 4.349804 0.105747 0.010118
C 3.273748 -2.033265 -0.927482
C 2.168742 -2.918604 -1.104832
C -1.141929 2.515862 -0.232967
C -2.931328 -1.858385 -1.100921
C 4.954083 -0.008011 1.437101
C -0.016343 2.578626 -2.420283
C 1.397178 2.838700 -2.928941
H -1.860568 -2.330952 1.145514
H -0.388870 1.693436 3.056028
H -3.407651 -0.679507 2.420325
H -1.783739 -0.924064 3.188626
H 2.004265 1.402698 1.265883
H -0.048039 3.405767 1.393629
H -1.824054 3.292658 1.662140
H -2.772684 0.101935 -0.330965
H 0.041559 -3.286423 -0.719823
H 5.136658 -0.128952 -0.730608
H 4.056259 1.160673 -0.177489
H 4.244830 -2.296404 -1.365880
H 2.312944 -3.839930 -1.680109
H 5.320931 -1.033410 1.619805
H 5.801260 0.690809 1.566031
H 4.201829 0.214996 2.216167
H -3.850493 -2.053254 -2.941778
H -3.897795 -0.406502 -2.321515
H -0.770605 3.223182 -2.906928
H -0.323486 1.524718 -2.540288
H 1.443678 2.638714 -4.014814
H 1.696523 3.886739 -2.756119
H 2.121699 2.174660 -2.426790


