%chk=000211248.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211248

0 1
O -0.053113 0.243088 1.727753
O -0.718983 1.347546 -1.468050
O -4.798945 -0.544625 0.635769
O -3.826746 -2.209393 -0.547703
N 0.911550 2.233553 -0.174844
C -0.007659 -0.102468 0.330718
C -1.235873 -0.960888 -0.030553
C 0.035500 1.217517 -0.505870
C 1.262696 -0.907176 0.124303
C -2.556618 -0.202328 0.097550
C 1.927507 2.174381 0.908218
C 0.886040 3.482523 -0.993845
C 1.738064 -1.126951 -1.177616
C 1.945731 -1.447076 1.221355
C -3.728762 -1.131649 -0.014322
C 3.313765 1.832558 0.365707
C 0.077087 4.580490 -0.306755
C 2.897086 -1.880779 -1.374785
C 3.106375 -2.199099 1.017227
C 3.583007 -2.416530 -0.278917
C -6.062554 -1.257834 0.596305
H -1.131921 -1.340050 -1.072678
H -1.237733 -1.865142 0.614792
H -2.611851 0.378090 1.042190
H -2.624221 0.565221 -0.722478
H 1.947244 3.159515 1.427061
H 1.618776 1.423040 1.676514
H 1.930686 3.816033 -1.174284
H 0.437017 3.248232 -1.991606
H -0.965423 0.504275 1.988037
H 1.205321 -0.711359 -2.035143
H 1.566040 -1.274288 2.231149
H 3.666772 2.566326 -0.366857
H 3.322539 0.850501 -0.128911
H 4.049857 1.792504 1.176786
H 0.062719 5.491861 -0.915933
H 0.483167 4.843360 0.675888
H -0.966302 4.271755 -0.158362
H 3.264895 -2.053905 -2.385201
H 3.636546 -2.618608 1.870748
H 4.485171 -3.005119 -0.436670
H -6.657726 -0.740292 1.355350
H -6.494180 -1.152298 -0.403593
H -5.910650 -2.314108 0.843158


%chk=000211248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211248

0 1
O 0.017678 0.303180 1.899108
O -0.777249 1.430546 -1.369349
O -4.934365 -0.578550 0.636219
O -3.732583 -2.145502 -0.599475
N 1.006820 2.261746 -0.149336
C 0.025768 -0.027063 0.452046
C -1.233149 -0.871922 0.101170
C 0.065401 1.284736 -0.416879
C 1.271455 -0.888416 0.193335
C -2.581701 -0.188497 0.402955
C 2.090175 2.201219 0.866806
C 0.941944 3.500983 -0.971885
C 1.664734 -1.153802 -1.143070
C 1.998385 -1.468717 1.259339
C -3.756761 -1.093653 0.077791
C 3.483862 1.939241 0.254944
C -0.061198 4.525244 -0.400579
C 2.776500 -1.982024 -1.408518
C 3.113227 -2.295911 0.991368
C 3.507085 -2.555816 -0.341248
C -6.169041 -1.345866 0.342142
H -1.201919 -1.126822 -0.970338
H -1.152847 -1.818903 0.665892
H -2.690137 0.116759 1.462688
H -2.673150 0.724122 -0.215960
H 2.093232 3.171102 1.404249
H 1.838608 1.427675 1.604784
H 1.957885 3.932342 -1.009956
H 0.642318 3.219063 -1.995184
H -0.842741 0.742694 2.114411
H 1.103216 -0.709476 -1.974255
H 1.685642 -1.264714 2.287190
H 3.763103 2.710977 -0.485447
H 3.514660 0.954020 -0.239276
H 4.246859 1.948361 1.055066
H -0.059528 5.445954 -1.012460
H 0.195123 4.803686 0.638156
H -1.081347 4.105717 -0.414294
H 3.071270 -2.180186 -2.445143
H 3.671431 -2.739882 1.823644
H 4.370474 -3.198506 -0.546940
H -6.972124 -0.789057 0.844971
H -6.338959 -1.394120 -0.746660
H -6.086162 -2.371561 0.739579


