%chk=000259129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259129

0 1
O -4.100921 0.956545 0.625128
N 4.347367 -0.346418 0.122357
N 2.269272 0.342385 -0.372283
N -4.031942 -1.086647 -0.354482
N 3.052075 -0.247179 0.444695
N -5.441732 -1.247195 -0.361519
C -1.925235 0.087326 0.045272
C 0.857906 0.214781 -0.145569
C -1.309129 1.251991 -0.442846
C -1.147657 -1.004056 0.454323
C 0.076928 1.319090 -0.547266
C 0.242387 -0.946080 0.360965
C -3.411200 0.067944 0.149554
C 5.234999 -0.525369 1.304014
C 4.959618 0.381181 -1.022189
H -1.925117 2.106908 -0.732742
H -1.623815 -1.897845 0.859882
H 0.564137 2.214896 -0.933477
H 0.850955 -1.791176 0.681325
H 6.080621 -1.171694 1.012318
H 4.696662 -1.029625 2.128487
H 5.627102 0.430910 1.687350
H 5.014579 1.469345 -0.854973
H 4.349985 0.219828 -1.932601
H 5.969534 -0.007955 -1.216733
H -3.548925 -1.820320 -0.871744
H -5.782091 -1.267235 0.611517
H -5.884662 -0.417336 -0.784863


%chk=000259129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259129

0 1
O -4.153317 1.066094 -0.519449
N 4.365331 -0.180630 0.231569
N 2.318613 0.521972 -0.326003
N -4.026392 -1.151887 0.143311
N 3.027172 -0.384327 0.325944
N -5.437843 -1.328999 0.147936
C -1.935119 0.108507 -0.181112
C 0.909091 0.314710 -0.225723
C -1.298797 1.159542 -0.890824
C -1.127295 -0.827530 0.524194
C 0.102410 1.259890 -0.916889
C 0.274249 -0.731868 0.505915
C -3.434619 0.066239 -0.197725
C 5.218191 -1.149952 0.923511
C 4.936808 0.944842 -0.527203
H -1.930126 1.888237 -1.409211
H -1.589970 -1.616910 1.129122
H 0.603658 2.064052 -1.465156
H 0.891908 -1.446916 1.056970
H 5.886061 -1.672148 0.212257
H 4.563671 -1.887856 1.411213
H 5.841747 -0.654698 1.691820
H 4.561333 1.906162 -0.132015
H 4.632280 0.890457 -1.588418
H 6.034183 0.902380 -0.444591
H -3.483733 -2.010056 0.235978
H -5.853466 -0.812052 0.936957
H -5.834330 -0.980256 -0.738481


