%chk=000208945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208945

0 1
O -4.995069 -0.658601 0.380261
N 0.790260 -0.163172 -0.630973
N 4.352499 -1.215148 -0.045857
N -3.776310 -0.031945 0.107062
C 2.166453 -0.583410 -0.938553
C 0.369302 1.154154 -0.358832
C -1.026787 1.099540 -0.026631
C -1.424364 -0.289784 -0.082408
C -0.296670 -1.029130 -0.440402
C 3.001628 -0.710155 0.357502
C 1.082768 2.369862 -0.390387
C -2.751620 -0.843564 0.177096
C -1.703522 2.298428 0.271575
C -2.855205 -2.318434 0.507953
C 0.382073 3.523568 -0.088650
C -0.998821 3.488902 0.239495
C 4.939170 -2.081489 1.018802
C 5.274834 -0.084428 -0.362573
C -3.081168 -3.143580 -0.755733
H 2.155322 -1.557738 -1.480054
H 2.630371 0.152876 -1.634042
H -0.206770 -2.092521 -0.585762
H 3.025488 0.259969 0.897798
H 2.506929 -1.429454 1.045412
H 2.136403 2.390738 -0.643999
H -2.766277 2.269597 0.515676
H -1.952320 -2.661489 1.048190
H -3.703587 -2.474335 1.212658
H 0.890124 4.486716 -0.100441
H -1.503008 4.426048 0.466208
H 4.284723 -2.954557 1.173783
H 5.096489 -1.585805 1.987762
H 5.910394 -2.468681 0.668758
H 6.219666 -0.497041 -0.753393
H 5.512400 0.572907 0.486826
H 4.837123 0.530806 -1.164198
H -4.023873 -2.859351 -1.244753
H -3.138824 -4.212948 -0.525926
H -2.280291 -2.997398 -1.489135
H -5.651337 0.107046 0.297787


%chk=000208945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208945

0 1
O -4.974231 -0.791117 0.812326
N 0.822054 -0.257136 -0.522797
N 4.457224 -1.190549 0.117531
N -3.699571 -0.075504 0.584160
C 2.196690 -0.676889 -0.824928
C 0.389291 1.069748 -0.338419
C -1.007467 1.033996 0.003027
C -1.407914 -0.371296 0.031087
C -0.257378 -1.111204 -0.292447
C 3.085146 -0.744604 0.444330
C 1.112415 2.277295 -0.455915
C -2.727800 -0.942273 0.309998
C -1.689971 2.257223 0.230276
C -2.946544 -2.446502 0.239871
C 0.409506 3.477710 -0.227260
C -0.975000 3.465984 0.112358
C 5.146864 -1.810034 1.269378
C 5.279618 -0.131160 -0.505060
C -3.467242 -2.889312 -1.154437
H 2.177605 -1.674716 -1.295408
H 2.623773 0.025385 -1.563352
H -0.131266 -2.187893 -0.392292
H 3.069316 0.247087 0.962505
H 2.634903 -1.477094 1.139286
H 2.177057 2.291322 -0.713848
H -2.750887 2.239433 0.490459
H -2.005512 -2.973212 0.478432
H -3.691299 -2.729456 1.004271
H 0.936566 4.434990 -0.310363
H -1.489363 4.418100 0.284824
H 4.545560 -2.651606 1.655992
H 5.333538 -1.099147 2.113196
H 6.122623 -2.211616 0.941825
H 6.261863 -0.547518 -0.790341
H 5.455665 0.740335 0.175722
H 4.800341 0.244813 -1.425419
H -4.435874 -2.406878 -1.368760
H -3.612196 -3.984718 -1.184130
H -2.756968 -2.612869 -1.954542
H -5.582535 -0.042119 1.036766


