%chk=000240114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240114

0 1
O 0.569958 -1.351965 1.261320
O -0.054284 -1.869856 -0.834473
O -0.870506 2.531779 0.933773
O 3.132602 1.424707 -0.953441
N 1.634132 -0.287038 -0.587898
N 1.123801 1.963122 0.044649
C -0.774472 0.301527 -0.072221
C 0.355329 -0.781032 -0.028735
C -1.248862 0.460285 -1.539804
C -1.916077 -0.088172 0.895876
C -0.231146 1.671912 0.370019
C -2.354147 1.491906 -1.719686
C -2.750582 -1.274434 0.431130
C 2.050507 1.050540 -0.548345
C 1.288992 -0.592807 2.253097
C 0.449409 -3.185131 -0.481655
H -1.594316 -0.533808 -1.902853
H -0.383388 0.720041 -2.183175
H -2.571613 0.798278 1.045512
H -1.480069 -0.315684 1.891871
H 2.245589 -0.961639 -1.055641
H -3.275808 1.200294 -1.200380
H -2.072132 2.480425 -1.332994
H -2.602915 1.616337 -2.780575
H -3.376090 -1.025093 -0.433619
H -2.114117 -2.122382 0.138809
H -3.416043 -1.620260 1.230361
H 1.463517 2.923417 0.204336
H 1.242797 -1.258930 3.125584
H 0.782721 0.354030 2.460636
H 2.325896 -0.437000 1.939796
H 0.025699 -3.491114 0.481730
H 1.540136 -3.189027 -0.444408
H 0.066581 -3.796230 -1.307599


%chk=000240114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240114

0 1
O 0.539209 -1.396898 1.379019
O -0.161104 -1.966601 -0.741144
O -0.857431 2.536211 0.986875
O 3.176790 1.305480 -0.957834
N 1.585439 -0.355797 -0.542718
N 1.117688 1.886173 -0.010733
C -0.796489 0.266486 -0.024616
C 0.316689 -0.848018 0.027349
C -1.249904 0.451853 -1.527347
C -1.992944 -0.067780 0.917431
C -0.203169 1.632332 0.400599
C -2.313633 1.545432 -1.752740
C -2.907161 -1.231562 0.483441
C 2.037826 0.953965 -0.544327
C 1.228929 -0.538936 2.352785
C 0.652788 -3.196348 -0.699319
H -1.631967 -0.524951 -1.865803
H -0.357890 0.667137 -2.146401
H -2.583649 0.859337 1.021928
H -1.591430 -0.290178 1.922683
H 2.253957 -1.045786 -0.890263
H -3.249383 1.323205 -1.210356
H -1.970253 2.542870 -1.427006
H -2.556712 1.605752 -2.829305
H -3.395321 -1.037917 -0.488655
H -2.345624 -2.175140 0.397895
H -3.707974 -1.366587 1.233874
H 1.473058 2.839133 0.113779
H 1.390823 -1.179488 3.233271
H 0.610005 0.331026 2.645638
H 2.205586 -0.189200 1.969113
H 0.876237 -3.483138 0.340470
H 1.591497 -3.086270 -1.280772
H 0.026616 -3.958801 -1.185814


