%chk=000201513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201513

0 1
O -3.941073 2.049662 -1.086574
O 3.883994 -0.215950 0.077822
N -2.453152 0.302910 -0.935717
C -1.788568 -0.563324 0.080538
C -2.315638 0.010837 1.443258
C -2.261217 -2.026175 -0.120671
C -3.280096 1.158262 1.111029
C -0.272123 -0.429383 0.026574
C -3.308563 1.270712 -0.403510
C -1.796811 -2.639780 -1.436850
C 0.531365 -1.403151 0.654883
C 0.347388 0.663558 -0.589221
C 1.914991 -1.301310 0.653564
C 1.740940 0.792106 -0.609546
C 2.514156 -0.195180 0.011278
C 4.625803 0.880473 -0.550855
C 6.071545 0.516520 -0.278154
H -1.473842 0.371610 2.061184
H -2.815832 -0.769048 2.039496
H -3.368943 -2.058010 -0.068567
H -1.903052 -2.644866 0.725989
H -2.957156 2.117904 1.556010
H -4.300388 0.974566 1.495243
H -2.326194 0.139293 -1.923589
H -2.033708 -3.709687 -1.476633
H -2.281095 -2.171204 -2.301088
H -0.712009 -2.539172 -1.573794
H 0.062133 -2.254324 1.151870
H -0.251647 1.444086 -1.063794
H 2.546248 -2.046323 1.131823
H 2.192145 1.647890 -1.098766
H 4.381993 0.893042 -1.626850
H 4.323015 1.825853 -0.069254
H 6.757606 1.260779 -0.697830
H 6.267197 0.441453 0.800990
H 6.324387 -0.462728 -0.708990


%chk=000201513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201513

0 1
O -4.115033 1.899223 -1.278835
O 4.048539 -0.319164 0.034843
N -2.347727 0.373494 -0.937980
C -1.745359 -0.493307 0.108965
C -2.274817 0.224124 1.414184
C -2.342388 -1.933622 0.011159
C -3.572266 0.952791 0.986311
C -0.207493 -0.460483 0.034756
C -3.413579 1.164977 -0.530207
C -2.086126 -2.651709 -1.330329
C 0.597123 -1.531450 0.510136
C 0.457470 0.693821 -0.446561
C 2.001689 -1.453978 0.499435
C 1.866297 0.790341 -0.468975
C 2.646701 -0.292508 0.007170
C 4.769574 0.871024 -0.461149
C 6.259905 0.575770 -0.317250
H -1.521640 0.956461 1.751446
H -2.428133 -0.505120 2.227470
H -3.434274 -1.849794 0.177890
H -1.951066 -2.543854 0.847711
H -3.725496 1.921682 1.488322
H -4.481173 0.346487 1.157967
H -2.103580 0.285752 -1.925665
H -2.526884 -3.664873 -1.318948
H -2.548412 -2.103859 -2.172347
H -1.006224 -2.754356 -1.538288
H 0.132182 -2.443664 0.897746
H -0.139207 1.537576 -0.811177
H 2.618998 -2.280446 0.864911
H 2.334803 1.701030 -0.853757
H 4.494988 1.053287 -1.520710
H 4.474103 1.756861 0.138212
H 6.853870 1.436290 -0.675242
H 6.518965 0.386096 0.738275
H 6.539467 -0.312997 -0.908192


