%chk=000207648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207648

0 1
O 2.304209 -1.966366 -1.543060
N -1.329153 2.076249 0.469506
N 2.257191 -0.473341 0.185815
C 1.081746 1.643156 0.861193
C -0.050871 1.668696 -0.197975
C 0.516495 2.422182 2.071835
C -0.895946 2.888338 1.655722
C 1.504031 0.217039 1.270092
C -2.181715 0.912304 0.876594
C -2.778076 0.245388 -0.377502
C 3.620985 -0.038535 -0.026752
C 1.658383 -1.455029 -0.647905
C -3.850459 -0.740769 -0.007050
C 0.209098 -1.803005 -0.364903
C 4.149276 0.053613 -1.328093
C 4.420708 0.304150 1.080888
C -3.614114 -2.120480 -0.091040
C -5.106249 -0.280922 0.423359
C -0.220823 -3.046755 -1.129017
C 5.462995 0.487225 -1.509554
C 5.731092 0.740637 0.879227
C -4.619134 -3.028082 0.255797
C -6.106809 -1.191383 0.769341
C 6.256842 0.837075 -0.412260
C -5.865899 -2.567289 0.688032
H 1.974679 2.172969 0.453750
H -0.151825 0.708680 -0.742235
H 0.164383 2.442016 -0.967626
H 0.471501 1.801792 2.981557
H 1.159571 3.281821 2.322014
H -1.617352 2.831175 2.489669
H -0.876964 3.948397 1.320434
H 0.618809 -0.386408 1.568552
H 2.149886 0.266267 2.180424
H -3.008569 1.306203 1.510152
H -1.643665 0.160153 1.489816
H -3.191161 1.028308 -1.051521
H -1.970994 -0.244919 -0.966799
H 0.038127 -1.947799 0.722726
H -0.433624 -0.930696 -0.664160
H 3.546866 -0.239608 -2.191047
H 4.028577 0.220413 2.092690
H -2.645037 -2.495525 -0.434316
H -5.300732 0.788537 0.482629
H 0.027700 -2.967492 -2.198062
H 0.290050 -3.945893 -0.760994
H -1.307293 -3.206235 -1.038410
H 5.871207 0.551359 -2.518180
H 6.347890 1.002884 1.737947
H -4.429444 -4.098079 0.187228
H -7.078494 -0.829006 1.101356
H 7.278634 1.176230 -0.563158
H -6.646826 -3.274744 0.957376


%chk=000207648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207648

0 1
O 2.317557 -2.336955 -1.257725
N -1.133850 2.181621 0.557566
N 2.219762 -0.619365 0.330480
C 1.164965 1.516663 1.214698
C 0.173275 1.713184 0.004288
C 0.416339 2.140121 2.436510
C -0.749471 2.941936 1.780284
C 1.545653 0.038403 1.482821
C -2.130167 1.102542 0.781435
C -2.859671 0.713939 -0.534550
C 3.456283 -0.020114 -0.133425
C 1.727246 -1.795532 -0.275880
C -3.889329 -0.382721 -0.308445
C 0.449133 -2.423872 0.314763
C 3.712469 0.145859 -1.518614
C 4.416579 0.432116 0.807501
C -3.588183 -1.742145 -0.581507
C -5.168179 -0.070925 0.223862
C 0.036547 -3.695648 -0.448766
C 4.912641 0.751655 -1.946999
C 5.612418 1.043493 0.371273
C -4.533526 -2.762484 -0.328047
C -6.117052 -1.085842 0.478961
C 5.868230 1.206366 -1.008813
C -5.801955 -2.437764 0.205319
H 2.094274 2.081102 1.015791
H 0.041778 0.787608 -0.583886
H 0.574691 2.481166 -0.682314
H 0.008089 1.344670 3.090790
H 1.073190 2.776729 3.055022
H -1.618881 3.084589 2.444312
H -0.385439 3.942753 1.474402
H 0.635274 -0.527378 1.726819
H 2.196256 -0.014279 2.378655
H -2.881667 1.476700 1.501765
H -1.690618 0.177078 1.231664
H -3.331210 1.631530 -0.931951
H -2.110743 0.387872 -1.281145
H 0.618349 -2.666737 1.383187
H -0.382163 -1.690536 0.293886
H 2.985653 -0.213197 -2.249646
H 4.244688 0.295091 1.880300
H -2.611790 -2.002542 -1.010200
H -5.423407 0.976752 0.429002
H -0.144511 -3.475998 -1.514643
H 0.835436 -4.454296 -0.409296
H -0.883479 -4.121386 -0.008047
H 5.099386 0.869232 -3.020245
H 6.345221 1.383580 1.111632
H -4.284098 -3.805887 -0.552961
H -7.101658 -0.824524 0.883631
H 6.797422 1.676834 -1.348113
H -6.538056 -3.226160 0.398702


