%chk=000190567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190567

0 1
O 1.313187 1.621800 -0.386218
O -1.860630 0.219580 -0.077938
O 1.321234 3.203169 -1.996638
O -2.247715 0.494321 2.128827
N 0.912280 -5.403050 0.509991
C 0.141582 0.984830 -1.003320
C -0.410840 0.138692 0.162259
C 0.569250 0.166750 -2.215956
C 1.468554 -1.003614 -1.815775
C -0.022913 -1.315888 0.178834
C 0.842377 -1.861367 -0.751300
C 1.184204 -3.255975 -0.670242
C -0.566543 -2.121710 1.229486
C 0.624623 -4.047313 0.374151
C -0.259609 -3.450595 1.330631
C 2.063674 -3.910251 -1.589422
C 1.818553 2.758527 -0.986175
C -2.694710 0.416170 1.005816
C 2.341739 -5.246017 -1.447340
C 1.736338 -5.967211 -0.367175
C 2.978315 3.273836 -0.223755
C -4.104548 0.503041 0.564409
C 3.622293 4.427751 -0.701119
C 3.430226 2.641237 0.944162
C -5.074838 0.854266 1.518046
C -4.476407 0.238999 -0.762400
C 4.718547 4.943637 -0.007687
C 4.527793 3.163965 1.632220
C -6.415204 0.943313 1.138234
C -5.819959 0.329356 -1.133821
C 5.170324 4.312523 1.157227
C -6.786825 0.681369 -0.185651
H -0.577388 1.790473 -1.287309
H -0.174168 0.623823 1.145537
H 1.088243 0.823251 -2.945593
H -0.339928 -0.208068 -2.732240
H 2.435837 -0.611534 -1.424304
H 1.722665 -1.597756 -2.717504
H -1.230120 -1.646347 1.959692
H -0.664999 -4.080445 2.124578
H 2.504345 -3.331385 -2.403535
H 3.005648 -5.769031 -2.130420
H 1.947155 -7.036676 -0.238001
H 3.258077 4.912173 -1.611286
H 2.919471 1.745123 1.307389
H -4.771724 1.053452 2.549642
H -3.712119 -0.036605 -1.493886
H 5.220862 5.838280 -0.373445
H 4.881394 2.676692 2.540120
H -7.171298 1.215850 1.873541
H -6.113817 0.124869 -2.162530
H 6.026263 4.718495 1.697183
H -7.834752 0.751328 -0.478889


%chk=000190567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190567

0 1
O 1.352244 1.613935 -0.279241
O -2.089795 0.316846 -0.146780
O 1.375265 3.497697 -1.657310
O -2.700680 0.545326 2.099065
N 1.378635 -4.985327 0.846855
C 0.012844 1.246677 -0.835042
C -0.629973 0.371853 0.246737
C 0.166410 0.478972 -2.152140
C 1.022928 -0.792328 -1.974571
C -0.074379 -1.038608 0.322365
C 0.690374 -1.592191 -0.719443
C 1.207664 -2.932570 -0.565835
C -0.346638 -1.792964 1.514167
C 0.916242 -3.690143 0.636695
C 0.127766 -3.090521 1.669706
C 2.024529 -3.578964 -1.552905
C 1.933970 2.785940 -0.785759
C -3.028568 0.419991 0.892385
C 2.486960 -4.878372 -1.333353
C 2.134899 -5.544474 -0.117145
C 3.259984 3.061596 -0.162978
C -4.429532 0.362768 0.386683
C 3.963887 4.221843 -0.579829
C 3.821822 2.205353 0.820311
C -5.480849 0.488609 1.332462
C -4.730929 0.184988 -0.988907
C 5.220359 4.523712 -0.016783
C 5.079782 2.512267 1.380049
C -6.822893 0.439741 0.904882
C -6.075831 0.136229 -1.411432
C 5.780385 3.669595 0.963823
C -7.122778 0.263975 -0.467489
H -0.568859 2.173552 -0.980825
H -0.576246 0.863362 1.234343
H 0.600763 1.136995 -2.923800
H -0.854577 0.205671 -2.480846
H 2.094749 -0.510112 -1.937004
H 0.901764 -1.425888 -2.873295
H -0.940836 -1.320560 2.304376
H -0.070132 -3.680817 2.568810
H 2.292100 -3.055852 -2.476189
H 3.111318 -5.390965 -2.071884
H 2.484602 -6.566467 0.074109
H 3.509191 4.867237 -1.338676
H 3.269675 1.315487 1.134977
H -5.223859 0.622904 2.388309
H -3.913136 0.084538 -1.707459
H 5.762053 5.419788 -0.337940
H 5.513449 1.853105 2.139667
H -7.633059 0.537467 1.635290
H -6.309482 -0.001852 -2.472540
H 6.756852 3.905293 1.401711
H -8.166434 0.225768 -0.799271


