%chk=000218568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218568

1 1
O 2.677008 2.210999 -0.251945
O -2.666774 2.210701 -0.355930
N -0.002192 -1.996554 -0.169203
N 0.004408 0.826902 -0.265498
C 1.227160 -1.323188 -0.139603
C -1.223366 -1.314615 -0.079171
C 1.183400 0.150348 -0.206050
C -1.176108 0.154883 -0.193773
C 2.466196 0.858973 -0.209010
C -2.457248 0.866756 -0.202160
C 2.454846 -2.015686 -0.053223
C -2.446050 -1.995635 0.106097
C -0.012591 -3.479560 -0.287575
C 3.667315 0.123980 -0.135197
C -3.653969 0.145089 -0.014437
C 3.656700 -1.282150 -0.050238
C -3.642447 -1.254331 0.150392
C 1.639144 3.247081 -0.372948
C -1.647337 3.208741 -0.719359
H 2.497765 -3.099623 0.050510
H -2.485714 -3.074654 0.255559
H -0.918755 -3.797024 -0.820075
H 0.849999 -3.804863 -0.883928
H 0.021635 -3.957227 0.707135
H 4.603989 0.686293 -0.132852
H -4.588621 0.710722 -0.003331
H 4.608299 -1.816571 0.029494
H -4.589686 -1.777909 0.312015
H 2.210606 4.183203 -0.444139
H 0.999850 3.250314 0.524016
H 1.036370 3.087638 -1.280218
H -2.231486 4.115608 -0.930184
H -1.087047 2.888752 -1.612626
H -0.966698 3.376310 0.128356


%chk=000218568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218568

1 1
O 2.674998 2.217255 -0.125077
O -2.634211 2.221018 -0.467503
N -0.006020 -1.985229 -0.162107
N 0.011151 0.837183 -0.270391
C 1.225332 -1.317839 -0.188918
C -1.219392 -1.296950 -0.037782
C 1.189022 0.155768 -0.203133
C -1.171537 0.165097 -0.206003
C 2.471707 0.864779 -0.186728
C -2.447816 0.885604 -0.231433
C 2.452108 -2.013998 -0.207699
C -2.437599 -1.954864 0.233115
C -0.016271 -3.469031 -0.258129
C 3.671626 0.126824 -0.231701
C -3.638583 0.190622 0.056384
C 3.654467 -1.281643 -0.239927
C -3.623406 -1.198197 0.299408
C 1.638989 3.246491 0.070946
C -1.672684 3.116322 -1.140080
H 2.497830 -3.102143 -0.163392
H -2.481665 -3.026516 0.430651
H -0.982529 -3.806617 -0.652967
H 0.760433 -3.792804 -0.965465
H 0.165329 -3.929871 0.728383
H 4.611772 0.683415 -0.234226
H -4.571199 0.759660 0.071211
H 4.605902 -1.822297 -0.249350
H -4.565285 -1.705417 0.530168
H 2.210778 4.148675 0.330800
H 0.949141 2.966773 0.883266
H 1.085485 3.397320 -0.868320
H -2.304210 3.890352 -1.599830
H -1.088144 2.579158 -1.904287
H -1.006919 3.564802 -0.388985


