%chk=000206376.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206376

0 1
O 2.164929 -1.897891 -0.747901
O -0.225009 1.539137 1.246150
O -4.324646 -0.487759 -0.078185
N -1.313450 -0.444105 0.877022
N 1.021848 -0.159010 0.242037
N -3.646727 1.668728 -0.270242
C -1.265253 -1.760765 0.414044
C -2.396760 -2.745948 0.439637
C -1.791978 -4.017955 -0.205191
C -0.307238 -3.706796 -0.538719
C -0.115360 -2.274999 -0.119296
C 1.115151 -1.540159 -0.269740
C -0.146604 0.403074 0.808140
C -2.560777 0.142144 1.417391
C 2.204083 0.699568 0.173981
C -3.570056 0.409988 0.288024
C 2.903005 0.802422 -1.039119
C 2.628982 1.395246 1.316970
C 4.041392 1.609905 -1.097937
C 3.766013 2.202178 1.235021
C -4.632047 1.919393 -1.349438
C -2.763738 2.805350 0.055310
C 4.472980 2.310601 0.032928
H -2.762180 -2.935942 1.464814
H -3.281858 -2.367284 -0.126419
H -2.347930 -4.289888 -1.118179
H -1.868707 -4.878366 0.478990
H -0.093305 -3.839130 -1.615150
H 0.384264 -4.376916 0.004033
H -2.318942 1.070998 1.995879
H -3.033211 -0.567330 2.139272
H 2.579930 0.238889 -1.914939
H 2.070574 1.323695 2.249910
H 4.595271 1.689549 -2.032789
H 4.101828 2.748500 2.115626
H -5.299524 2.752769 -1.077143
H -5.257999 1.018651 -1.517057
H -4.124143 2.160104 -2.297620
H -2.194488 3.128359 -0.834798
H -2.014773 2.551059 0.833973
H -3.354568 3.662487 0.420545
H 5.360021 2.938651 -0.021834


%chk=000206376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206376

0 1
O 2.338466 -2.111109 -0.410630
O -0.290765 1.609207 0.869443
O -3.881295 -0.378109 -0.874005
N -1.303739 -0.492909 0.734902
N 1.031527 -0.234747 0.225363
N -3.702943 1.881916 -0.321357
C -1.200697 -1.849874 0.441040
C -2.325630 -2.860778 0.540893
C -1.717571 -4.108504 -0.179349
C -0.164027 -3.920563 -0.152838
C -0.011210 -2.428367 0.057656
C 1.207561 -1.659685 -0.074701
C -0.181575 0.371511 0.620748
C -2.589300 0.135442 1.120205
C 2.201689 0.629762 0.110685
C -3.431239 0.544277 -0.113605
C 2.853094 0.751123 -1.135639
C 2.683777 1.317149 1.245552
C 3.996375 1.572044 -1.245331
C 3.823702 2.141109 1.127945
C -4.603939 2.252290 -1.431544
C -3.159779 2.998910 0.483745
C 4.483210 2.270113 -0.116336
H -2.553419 -3.074998 1.606194
H -3.247612 -2.492682 0.059269
H -2.068883 -4.121535 -1.226257
H -2.035321 -5.053374 0.292941
H 0.322412 -4.262487 -1.082860
H 0.308437 -4.483243 0.676301
H -2.365598 0.973844 1.793113
H -3.184347 -0.615312 1.665380
H 2.478702 0.197549 -2.001398
H 2.165602 1.217205 2.203983
H 4.506186 1.663035 -2.210513
H 4.196414 2.678810 2.006526
H -5.442690 2.864769 -1.051711
H -4.993065 1.331520 -1.890679
H -4.055572 2.834610 -2.195704
H -3.129485 3.901015 -0.150885
H -2.128095 2.785637 0.806124
H -3.800792 3.219693 1.359881
H 5.370435 2.906937 -0.204543


