%chk=000213586.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213586

0 1
O -4.765054 -3.123804 0.144190
O 6.727752 0.957158 0.906493
N 1.652860 0.471115 -0.010763
N -3.901825 2.325920 0.157172
N 5.754182 -0.652647 -0.428534
C 0.212678 0.517704 0.407364
C -0.679922 0.728691 -0.832974
C 2.549342 0.656371 1.176183
C -2.057866 1.102023 -0.426350
C 1.963151 -0.809269 -0.732804
C 4.005790 0.778927 0.700567
C -3.137446 0.184115 -0.162679
C 4.364588 -0.349273 -0.218202
C -2.545946 2.392843 -0.222419
C 3.433727 -1.076556 -0.865962
C -4.285337 0.968484 0.198991
C -3.240010 -1.220356 -0.198447
C -1.862622 3.697066 -0.354484
C -5.524715 0.381780 0.521798
C -4.470463 -1.772109 0.122959
C -5.614015 -0.994359 0.482548
C 6.854346 0.024936 0.137536
C 8.189566 -0.517442 -0.296406
C -3.707961 -4.045553 -0.207979
H 0.076757 1.378814 1.098783
H -0.117971 -0.385522 0.962363
H -0.233622 1.512940 -1.481888
H -0.702251 -0.188632 -1.454858
H 2.463080 -0.167260 1.917345
H 2.254715 1.595453 1.693028
H 1.523893 -0.701754 -1.753854
H 1.480038 -1.696007 -0.259744
H 4.685573 0.832782 1.580149
H 4.154900 1.742077 0.161719
H 3.678144 -1.894272 -1.535457
H -4.497895 3.102861 0.356131
H -2.377553 -1.815016 -0.469178
H -0.772316 3.561634 -0.461152
H -2.203185 4.246475 -1.245287
H -2.017135 4.344548 0.519876
H -6.378754 0.996454 0.791754
H 5.939850 -1.423778 -1.073238
H -6.538404 -1.516585 0.718977
H 8.997730 0.052735 0.193187
H 8.348707 -0.426275 -1.378744
H 8.329270 -1.569633 -0.017397
H -4.212519 -5.015353 -0.112605
H -2.879750 -3.962669 0.501474
H -3.380602 -3.873181 -1.237282


%chk=000213586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213586

0 1
O -4.396818 -3.222835 0.311670
O 6.857322 0.717356 1.012768
N 1.626550 0.502984 0.067629
N -4.082525 2.347404 -0.006021
N 5.688651 -0.726055 -0.437360
C 0.189788 0.672525 0.392094
C -0.678264 1.009325 -0.849978
C 2.478680 0.460462 1.281372
C -2.118023 1.285711 -0.490619
C 1.877302 -0.673967 -0.796340
C 3.970301 0.580486 0.918047
C -3.123180 0.285032 -0.171866
C 4.319913 -0.398556 -0.186607
C -2.738208 2.538891 -0.378510
C 3.348410 -0.993315 -0.937944
C -4.344976 0.977680 0.126856
C -3.092519 -1.137063 -0.121939
C -2.192114 3.923009 -0.588333
C -5.529354 0.290494 0.472730
C -4.278474 -1.817290 0.222861
C -5.485586 -1.113329 0.519307
C 6.847520 -0.194123 0.132727
C 8.147174 -0.803423 -0.398099
C -3.198303 -4.008944 0.033842
H 0.101574 1.507746 1.111915
H -0.231383 -0.236413 0.896440
H -0.217144 1.876892 -1.357658
H -0.641043 0.167080 -1.568879
H 2.314506 -0.482433 1.865510
H 2.194225 1.304997 1.935079
H 1.458258 -0.476480 -1.802376
H 1.335142 -1.582436 -0.406459
H 4.595639 0.395728 1.807865
H 4.204468 1.609986 0.591589
H 3.612805 -1.724075 -1.715900
H -4.757981 3.095318 0.134545
H -2.167036 -1.674456 -0.349363
H -1.147406 3.874663 -0.935699
H -2.770797 4.484512 -1.347606
H -2.203027 4.519125 0.345249
H -6.460302 0.821779 0.699870
H 5.834143 -1.432371 -1.163362
H -6.370535 -1.700563 0.781798
H 8.716326 -1.222297 0.449663
H 8.763372 -0.000218 -0.838015
H 8.001640 -1.595187 -1.153868
H -3.501891 -5.058739 0.162787
H -2.381502 -3.767858 0.743746
H -2.839818 -3.850159 -1.003256


