%chk=000212490.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212490

0 1
O 4.661721 -0.157852 -0.556893
O -2.311510 -1.855849 -0.072417
O 4.974180 1.510994 0.967071
O -4.378445 -1.606547 0.875673
N 0.465734 1.365738 -0.064136
N 3.294936 1.683065 -0.656574
N -3.122027 0.249479 0.236348
C 1.356327 2.105348 0.890436
C 1.226660 0.264460 -0.742988
C -0.742692 0.825991 0.636893
C 2.542356 2.714705 0.115054
C 2.404063 0.871297 -1.531927
C -1.878453 0.734699 -0.408907
C -4.156785 1.236955 0.642368
C -5.082901 1.623730 -0.540230
C 4.342427 1.043157 0.038281
C -3.378049 -1.104019 0.392981
C -5.640760 3.033848 -0.315654
C -6.216284 0.607112 -0.694811
C 5.899867 -0.828133 -0.086474
C -2.439143 -3.326819 0.064442
C 6.217520 -1.761061 -1.242696
C 5.583117 -1.535971 1.218958
C -2.131912 -3.695135 1.505312
C -1.416224 -3.831021 -0.940365
H 1.731822 1.469188 1.720840
H 0.764520 2.926342 1.350858
H 0.536455 -0.251598 -1.445924
H 1.599961 -0.508177 -0.036275
H -1.046880 1.511155 1.456053
H -0.581595 -0.169750 1.105614
H 3.235709 3.236536 0.814241
H 2.177587 3.467394 -0.621422
H 2.995157 0.068874 -2.028305
H 2.024329 1.551168 -2.329599
H -2.055723 1.728931 -0.874343
H -1.590176 0.038296 -1.231173
H -4.759853 0.804384 1.475752
H -3.639789 2.132515 1.049391
H -4.479885 1.628681 -1.482542
H -6.204003 3.105270 0.621536
H -6.327961 3.314791 -1.122699
H -4.847005 3.787215 -0.287816
H -6.936182 0.666970 0.129378
H -6.768882 0.759034 -1.626608
H -5.833273 -0.424006 -0.695639
H 6.670530 -0.036347 0.048172
H -3.482433 -3.594652 -0.217162
H 7.130501 -2.335369 -1.049729
H 6.358799 -1.200299 -2.176327
H 5.402524 -2.474215 -1.422118
H 4.707178 -2.188452 1.126996
H 5.364772 -0.804717 2.012850
H 6.424030 -2.150105 1.558990
H -1.174979 -3.277176 1.838164
H -2.910550 -3.303652 2.178807
H -2.091369 -4.780604 1.645230
H -0.406881 -3.471539 -0.702623
H -1.649439 -3.478821 -1.953553
H -1.387042 -4.926238 -0.959560


%chk=000212490-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212490

0 1
O 5.018869 -0.155791 -0.668935
O -2.650835 -1.927752 0.025761
O 5.268396 1.725361 0.729290
O -4.799051 -1.464231 0.881228
N 0.355274 1.097670 0.202302
N 3.189127 1.164456 -0.203590
N -3.363419 0.257159 0.160599
C 1.226918 1.866412 1.126869
C 1.070292 -0.099931 -0.309884
C -0.976845 0.774450 0.763891
C 2.501863 2.325662 0.393912
C 2.346838 0.314385 -1.067255
C -2.037233 0.648752 -0.360203
C -4.326780 1.320394 0.522913
C -5.036952 1.977050 -0.692517
C 4.539252 0.980071 0.014537
C -3.702307 -1.060767 0.401083
C -5.911313 3.151623 -0.193908
C -5.873454 0.947878 -1.484690
C 6.475556 -0.467638 -0.467916
C -2.901312 -3.391268 0.257852
C 6.879355 -1.288666 -1.695399
C 6.658334 -1.209057 0.864400
C -2.623582 -3.726163 1.730528
C -1.980142 -4.116029 -0.727164
H 1.519420 1.262737 2.023129
H 0.674297 2.756646 1.479377
H 0.406963 -0.656469 -0.995349
H 1.349304 -0.790299 0.526695
H -1.275304 1.589827 1.449747
H -0.968487 -0.171194 1.356250
H 3.202841 2.822884 1.083235
H 2.219063 3.036879 -0.408555
H 2.925207 -0.568998 -1.373040
H 2.057948 0.886302 -1.972697
H -2.131713 1.622336 -0.872546
H -1.708362 -0.093343 -1.104425
H -5.084093 0.867101 1.186722
H -3.787268 2.100658 1.097831
H -4.258521 2.390258 -1.369150
H -6.698256 2.788908 0.494967
H -6.412904 3.654766 -1.040377
H -5.310491 3.909474 0.343974
H -6.655882 0.503349 -0.842182
H -6.365524 1.426530 -2.351604
H -5.243645 0.122472 -1.861976
H 7.011977 0.498794 -0.434952
H -3.966274 -3.578983 0.026391
H 7.952717 -1.545688 -1.639783
H 6.703149 -0.718796 -2.623727
H 6.299031 -2.227201 -1.745178
H 6.072309 -2.145717 0.871524
H 6.336963 -0.573237 1.706077
H 7.724070 -1.464420 1.011969
H -1.580529 -3.475540 1.996012
H -3.309968 -3.167974 2.388721
H -2.777168 -4.806641 1.908365
H -0.921032 -3.881768 -0.516492
H -2.204908 -3.819729 -1.766149
H -2.118082 -5.208751 -0.637312


