%chk=000221375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221375

0 1
O 5.132309 -0.683215 -1.579297
N 0.391807 0.667400 1.068415
N -3.458713 0.046996 -0.723544
C 0.412712 0.454907 2.548922
C 1.035255 -0.891299 2.939625
C 2.476346 -0.968250 2.425002
C 1.578066 0.240807 0.366306
C 2.611770 -0.490043 1.005875
C -0.889574 0.378796 0.454157
C -1.236046 -0.848866 -0.157545
C -1.832448 1.438931 0.478476
C 1.733555 0.665382 -0.965489
C 3.786880 -0.765793 0.306636
C -2.544257 -0.958560 -0.753551
C -3.121790 1.218852 -0.117674
C 3.919884 -0.328538 -1.024144
C 2.902077 0.381284 -1.672486
C -0.383145 -2.010362 -0.210193
C -1.563359 2.735768 1.048915
C -2.935270 -2.192301 -1.407148
C -4.111447 2.275598 -0.087660
C -0.785817 -3.159494 -0.822663
C -2.515312 3.712089 1.053947
C -2.081638 -3.250575 -1.439004
C -3.813163 3.474882 0.483426
C 5.389502 -0.282756 -2.946166
H -0.615947 0.549863 2.957434
H 1.011026 1.293329 2.976437
H 0.433045 -1.725201 2.526842
H 1.012516 -1.018049 4.038047
H 2.852190 -2.008529 2.515084
H 3.142144 -0.354787 3.071004
H 0.932113 1.225305 -1.451458
H 4.605865 -1.315202 0.766238
H 3.003935 0.713447 -2.700107
H 0.602525 -1.956874 0.255102
H -0.568790 2.918038 1.462474
H -3.927948 -2.225148 -1.859721
H -5.083121 2.065655 -0.537460
H -0.136899 -4.032866 -0.860874
H -2.314042 4.692218 1.482192
H -2.356913 -4.185667 -1.926206
H -4.545439 4.281471 0.516145
H 5.384872 0.807670 -3.030791
H 4.666054 -0.748218 -3.621594
H 6.397329 -0.685395 -3.111623


%chk=000221375-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221375

0 1
O 5.306254 -0.546750 -1.505845
N 0.323483 0.309007 1.071525
N -3.568393 0.095192 -0.805145
C 0.372425 0.463503 2.547996
C 1.196124 -0.690570 3.157699
C 2.647045 -0.617014 2.635290
C 1.562369 0.083769 0.400949
C 2.711820 -0.357696 1.131413
C -0.936088 0.239098 0.410199
C -1.342858 -0.932176 -0.317427
C -1.852592 1.337424 0.508462
C 1.683193 0.330901 -0.991059
C 3.928071 -0.542865 0.443641
C -2.672506 -0.937657 -0.923567
C -3.173194 1.201516 -0.100245
C 4.035051 -0.312558 -0.946749
C 2.899439 0.126916 -1.671466
C -0.536778 -2.118554 -0.431529
C -1.512318 2.588079 1.134305
C -3.100308 -2.099573 -1.658688
C -4.108501 2.290334 0.015323
C -0.991113 -3.230090 -1.136862
C -2.435546 3.627843 1.209102
C -2.280880 -3.218203 -1.769302
C -3.754639 3.471340 0.660147
C 5.455647 -0.320654 -2.943483
H -0.660689 0.461180 2.930507
H 0.841546 1.430987 2.827089
H 0.726493 -1.652214 2.877487
H 1.181421 -0.618623 4.261265
H 3.191333 -1.549036 2.877536
H 3.181278 0.198391 3.165081
H 0.810502 0.688518 -1.546611
H 4.819613 -0.882418 0.983034
H 2.948697 0.323418 -2.746389
H 0.449571 -2.140929 0.039293
H -0.499823 2.725382 1.525898
H -4.096255 -2.059471 -2.110373
H -5.095160 2.146518 -0.435646
H -0.361792 -4.123986 -1.209362
H -2.153861 4.578207 1.675783
H -2.618805 -4.097621 -2.328769
H -4.473281 4.294977 0.735918
H 5.254865 0.735797 -3.210270
H 4.787004 -0.982052 -3.529285
H 6.504838 -0.564887 -3.166569


