%chk=000195474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195474

0 1
O 0.991456 -2.973662 0.016944
N -0.160058 0.965262 -0.007060
C -2.604163 0.305412 0.002556
C -1.126593 -0.062235 0.001906
C -3.290918 -0.247231 -1.264507
C -3.285722 -0.230449 1.279594
C 1.227481 0.655868 -0.007981
C -0.737705 -1.366857 0.009906
C 1.641013 -0.694250 0.000242
C -2.756399 0.399764 -2.538063
C -2.745801 0.433006 2.542367
C 0.651008 -1.801477 0.009816
C -0.548394 2.396734 -0.016277
C 2.208474 1.682328 -0.016969
C 3.015148 -1.003576 -0.000583
C 3.555263 1.347151 -0.017526
C 3.969803 0.003434 -0.009361
H -2.736284 1.422910 -0.004535
H -3.158623 -1.347343 -1.320204
H -4.383710 -0.079718 -1.189454
H -3.153418 -1.329774 1.349119
H -4.378791 -0.063641 1.206902
H -1.472649 -2.171158 0.016974
H -3.255945 -0.008937 -3.425226
H -2.910282 1.483503 -2.547087
H -1.681304 0.214182 -2.663920
H -2.899610 1.516783 2.537944
H -3.241579 0.035893 3.436872
H -1.670178 0.249009 2.666076
H -0.161302 2.899577 -0.920644
H -0.157726 2.912084 0.879503
H -1.650795 2.520445 -0.014894
H 1.925502 2.730068 -0.023461
H 3.304115 -2.061129 0.005897
H 4.307037 2.137931 -0.024406
H 5.029549 -0.238607 -0.009960


%chk=000195474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195474

0 1
O 0.990540 -3.024187 0.015131
N -0.157088 1.015090 -0.006208
C -2.630103 0.302047 0.002342
C -1.125245 -0.008394 0.001673
C -3.319011 -0.259369 -1.278421
C -3.314279 -0.240479 1.293726
C 1.226606 0.685173 -0.007731
C -0.733163 -1.340746 0.008649
C 1.643666 -0.684129 -0.000602
C -2.774541 0.343013 -2.590485
C -2.765678 0.381759 2.594775
C 0.646653 -1.788327 0.008604
C -0.489440 2.455424 -0.013103
C 2.226188 1.705245 -0.016446
C 3.026380 -0.999792 -0.002379
C 3.589958 1.365432 -0.018060
C 4.002256 0.007679 -0.011028
H -2.806629 1.392669 -0.005465
H -3.206112 -1.360086 -1.301338
H -4.405286 -0.054812 -1.195984
H -3.200759 -1.340685 1.332689
H -4.400938 -0.037650 1.212009
H -1.502840 -2.117221 0.014321
H -3.307354 -0.070381 -3.465612
H -2.900142 1.442859 -2.610961
H -1.699992 0.117316 -2.715653
H -2.891826 1.481727 2.599231
H -3.295304 -0.018721 3.477803
H -1.690596 0.158525 2.719748
H -0.078202 2.942808 -0.915638
H -0.072473 2.952515 0.881452
H -1.572717 2.608212 -0.010433
H 1.954890 2.763113 -0.022173
H 3.284802 -2.064376 0.003341
H 4.338409 2.165830 -0.024902
H 5.067272 -0.245781 -0.012371


