%chk=000216120.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216120

0 1
O -0.645834 0.585291 -0.467067
O -0.780874 -0.400155 1.566696
N -4.330516 0.256160 -0.833833
C 2.463009 0.270473 0.724289
C 1.130724 1.004596 0.973212
C 2.024094 0.621654 2.138019
C 3.570459 1.053250 0.085655
C 2.462941 -1.159237 0.278912
C -0.167918 0.296951 0.794713
C 4.820270 1.138812 0.715319
C 1.768291 -1.535986 -0.879682
C 3.363294 1.680957 -1.151179
C 3.186252 -2.115704 1.005492
C -1.917214 -0.009167 -0.872001
C 5.856239 1.855455 0.109860
C 1.797238 -2.865911 -1.306303
C 4.403243 2.396135 -1.750650
C 3.210559 -3.444672 0.573288
C -3.065551 0.774548 -0.221173
C 5.649437 2.485512 -1.121517
C 2.517664 -3.821340 -0.581674
C -5.269620 1.386624 -1.134422
C -4.914896 -0.856121 -0.029301
C -6.725659 0.952478 -1.361058
C -5.776648 -0.453735 1.180273
C -7.546248 0.921260 -0.064960
C -7.258097 -0.301674 0.814867
H 1.070342 2.061603 0.667299
H 2.539168 1.405998 2.689959
H 1.695652 -0.176092 2.809044
H 4.983656 0.643828 1.670737
H 1.201911 -0.790459 -1.440655
H 2.394014 1.606091 -1.643513
H 3.727292 -1.823408 1.903310
H -1.919630 -1.077327 -0.598638
H -1.881930 0.114474 -1.969053
H 6.827077 1.921225 0.598261
H 1.256916 -3.158412 -2.205147
H 4.242479 2.883093 -2.711223
H 3.770332 -4.187891 1.138522
H -2.925774 1.857810 -0.421087
H -3.024598 0.657760 0.884540
H 6.457780 3.042684 -1.590927
H 2.538023 -4.856774 -0.915746
H -5.243881 2.177114 -0.351984
H -4.878079 1.847858 -2.071557
H -5.517015 -1.467831 -0.739933
H -4.084983 -1.516018 0.307819
H -7.196540 1.660255 -2.071733
H -6.758999 -0.034385 -1.863136
H -5.673813 -1.220969 1.971928
H -5.396840 0.484146 1.627277
H -8.625043 0.935005 -0.317976
H -7.364187 1.847157 0.514999
H -7.857716 -0.227691 1.743682
H -7.610850 -1.219198 0.303955


%chk=000216120-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216120

0 1
O -0.771796 1.090112 -0.862647
O -0.633204 -0.481679 0.865908
N -4.519759 0.524495 -0.775759
C 2.476496 0.339587 0.575748
C 1.146615 1.171316 0.524923
C 1.850499 0.875679 1.858658
C 3.713327 1.042491 0.040012
C 2.444805 -1.149123 0.279079
C -0.146962 0.492899 0.242163
C 4.938517 0.924887 0.745428
C 2.379677 -1.592110 -1.067434
C 3.692735 1.766968 -1.177496
C 2.533586 -2.114571 1.310418
C -2.094225 0.515907 -1.254820
C 6.116371 1.522227 0.247062
C 2.395829 -2.968815 -1.374319
C 4.870865 2.365881 -1.679127
C 2.554646 -3.494542 1.006292
C -3.232347 1.169689 -0.444979
C 6.087134 2.244846 -0.969246
C 2.485471 -3.927060 -0.337019
C -5.636429 1.494062 -0.915045
C -4.775472 -0.733878 -0.027918
C -7.032953 0.856497 -1.099791
C -5.631072 -0.627632 1.268838
C -7.744706 0.497355 0.229274
C -7.152519 -0.708407 0.996322
H 1.234080 2.175698 0.103877
H 2.336666 1.716191 2.362114
H 1.328617 0.166714 2.508670
H 4.964749 0.359073 1.684390
H 2.320140 -0.854639 -1.876676
H 2.752191 1.864858 -1.732672
H 2.580187 -1.787956 2.355484
H -2.071421 -0.575374 -1.092483
H -2.191915 0.741159 -2.327471
H 7.055508 1.424255 0.803424
H 2.340052 -3.295781 -2.418898
H 4.839201 2.924528 -2.621449
H 2.620811 -4.229839 1.816238
H -3.284835 2.242014 -0.707781
H -2.986723 1.109831 0.640462
H 7.000980 2.708594 -1.357269
H 2.499329 -4.996971 -0.573704
H -5.696142 2.186910 -0.035995
H -5.407775 2.128602 -1.795055
H -5.264368 -1.469096 -0.699783
H -3.786112 -1.157962 0.225477
H -7.663558 1.590857 -1.638704
H -6.954862 -0.030206 -1.759188
H -5.349612 -1.466018 1.936908
H -5.380216 0.304550 1.815836
H -8.814169 0.289717 0.022893
H -7.722329 1.392991 0.884941
H -7.695789 -0.816380 1.956732
H -7.348408 -1.637298 0.419954


