%chk=000227698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227698

0 1
O -1.447122 -1.183892 -0.813887
N -0.642071 0.371968 0.648733
C 0.740372 0.111888 0.327431
C 3.011816 0.923508 -0.001857
C 3.450864 -0.398593 -0.231124
C 1.661194 1.173952 0.270313
C 1.172447 -1.203991 0.087187
C 2.517219 -1.443781 -0.190309
C 3.974659 2.067715 -0.052799
C -1.703103 -0.311791 0.004701
C 4.887284 -0.694753 -0.522723
C -0.915302 1.473745 1.604613
C -3.075506 0.074447 0.394187
C -4.098603 0.153498 -0.478104
C -5.477663 0.504152 -0.014869
C -3.950408 -0.077271 -1.943076
H 1.329312 2.198053 0.418638
H 0.456024 -2.028217 0.091284
H 2.843016 -2.466653 -0.379225
H 4.450359 2.139456 -1.041557
H 3.495951 3.034575 0.145274
H 4.777240 1.944463 0.687962
H 5.220800 -0.183020 -1.436452
H 5.537851 -0.363259 0.298280
H 5.073409 -1.766482 -0.668837
H -1.769525 1.219652 2.256823
H -1.149667 2.412242 1.074909
H -0.046501 1.646234 2.262832
H -3.227910 0.251718 1.458818
H -5.513965 0.831461 1.032185
H -5.916138 1.308154 -0.622691
H -6.147077 -0.365856 -0.101253
H -3.190731 -0.859149 -2.152984
H -3.601937 0.830360 -2.456494
H -4.879688 -0.395932 -2.428128


%chk=000227698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227698

0 1
O -1.538740 -0.868226 -1.330075
N -0.610344 0.502966 0.350342
C 0.773026 0.210929 0.058587
C 3.153369 0.873394 0.307973
C 3.563663 -0.280596 -0.423740
C 1.777180 1.100918 0.534944
C 1.185742 -0.934857 -0.673801
C 2.559861 -1.155651 -0.901136
C 4.180445 1.861521 0.834552
C -1.689063 0.037914 -0.444792
C 5.031582 -0.563730 -0.687533
C -0.883449 1.340567 1.542391
C -3.002164 0.711564 -0.217294
C -4.229410 0.180410 -0.521075
C -5.483561 1.012645 -0.322890
C -4.462998 -1.217659 -1.053592
H 1.493227 2.009642 1.075702
H 0.437677 -1.622391 -1.065443
H 2.858328 -2.046790 -1.466958
H 4.792142 2.286163 0.015211
H 3.699023 2.700817 1.365245
H 4.886227 1.377947 1.537578
H 5.512006 0.257211 -1.254936
H 5.604531 -0.675267 0.253889
H 5.157834 -1.492492 -1.269552
H -1.880660 1.104647 1.941847
H -0.833050 2.426168 1.326187
H -0.142989 1.104679 2.324359
H -2.977363 1.741046 0.162003
H -5.259234 2.038634 0.015410
H -6.059245 1.075653 -1.267430
H -6.154634 0.538802 0.420509
H -3.576535 -1.858877 -0.951502
H -4.699953 -1.170358 -2.135321
H -5.335573 -1.678740 -0.551856


