%chk=000212717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212717

0 1
O -0.851757 -0.687560 0.635266
N -4.381765 -1.603126 0.355731
N 1.528923 -2.349251 -3.089376
C -0.009993 0.319597 1.238310
C 1.396889 -0.230402 1.125999
C -0.114258 1.652881 0.521663
C 1.968175 -0.565731 -0.115503
C 0.097685 1.764147 -0.864809
C -2.276648 -0.438427 0.779638
C 1.217137 -0.420143 -1.379363
C 0.404205 0.604755 -1.709816
C 2.146043 -0.391258 2.303028
C -0.421330 2.799549 1.270855
C -2.896121 -1.724083 0.210247
C 3.289139 -1.053232 -0.157693
C -0.009752 3.026668 -1.482039
C 3.453816 -0.872034 2.249560
C -0.515618 4.046360 0.653019
C 4.026792 -1.201761 1.015082
C -0.308143 4.159391 -0.727483
C -5.005223 -2.944479 0.559469
C -4.980892 -0.928373 -0.834406
C 1.394487 -1.488954 -2.328502
H -0.320968 0.419338 2.307158
H -2.526732 -0.292008 1.843255
H -2.542157 0.461260 0.201497
H -0.089674 0.615307 -2.690037
H 1.703447 -0.142328 3.267072
H -0.585971 2.718719 2.345191
H -2.550078 -1.882180 -0.833108
H -2.511349 -2.592821 0.788666
H 3.741328 -1.314279 -1.115487
H 0.152536 3.118717 -2.555653
H 4.028336 -0.994107 3.166559
H -0.751296 4.931272 1.242281
H 5.048484 -1.577170 0.971641
H -0.380635 5.133013 -1.210541
H -4.609868 -3.385282 1.489093
H -4.846524 -3.659974 -0.260395
H -6.090600 -2.816680 0.700935
H -4.521336 0.064922 -0.957890
H -6.054926 -0.767591 -0.647692
H -4.873709 -1.477264 -1.781520


%chk=000212717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212717

0 1
O -0.783116 -0.757832 0.630041
N -4.437012 -1.535912 0.432950
N 2.324746 -1.821130 -3.485362
C 0.101937 0.296304 1.177224
C 1.516100 -0.246279 1.098911
C -0.089959 1.632723 0.470705
C 2.128380 -0.603265 -0.142879
C 0.107111 1.762416 -0.941942
C -2.217704 -0.462205 0.795648
C 1.520054 -0.319535 -1.465151
C 0.659155 0.714406 -1.795936
C 2.214914 -0.476481 2.307532
C -0.573836 2.739293 1.206823
C -2.968668 -1.737718 0.385507
C 3.406092 -1.236252 -0.112437
C -0.252036 2.993762 -1.569884
C 3.493309 -1.070933 2.320281
C -0.881588 3.965011 0.577892
C 4.085498 -1.464202 1.097809
C -0.730212 4.086564 -0.824513
C -5.180946 -2.790148 0.667097
C -4.959192 -0.803490 -0.739335
C 1.963363 -1.140102 -2.569538
H -0.157332 0.445229 2.249217
H -2.443939 -0.211229 1.853989
H -2.507118 0.402169 0.164163
H 0.422792 0.815743 -2.863858
H 1.733449 -0.206556 3.254840
H -0.730320 2.629451 2.287002
H -2.610145 -2.059009 -0.623258
H -2.696657 -2.540364 1.093958
H 3.875248 -1.533668 -1.056632
H -0.122410 3.090829 -2.654539
H 4.010651 -1.245562 3.269575
H -1.257976 4.807534 1.167919
H 5.070047 -1.943646 1.088336
H -0.984810 5.025187 -1.327998
H -4.827179 -3.266490 1.598387
H -5.078555 -3.533697 -0.164008
H -6.256257 -2.564506 0.787158
H -4.438460 0.162599 -0.854097
H -6.033703 -0.590730 -0.594668
H -4.843616 -1.372880 -1.697030


