%chk=000206445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206445

0 1
O -3.387857 -2.129614 1.187123
N -2.025350 0.995262 -0.024276
N 1.720787 1.717919 -0.085354
N -3.849604 -1.036071 -0.730435
C -1.876407 -0.318396 0.673923
C -0.846334 1.906073 0.192850
C -0.611834 -1.136982 0.298004
C 0.444866 1.145008 0.085328
C 0.556397 -0.238793 0.145929
C -2.328560 0.791768 -1.476338
C -3.100010 -1.213757 0.430856
C 1.950719 -0.571058 0.012733
C -3.738559 0.177273 -1.573048
C -0.976797 2.558621 1.575325
C 2.661206 0.672833 -0.123384
C 2.674710 -1.777515 -0.004598
C 4.062266 0.717817 -0.273647
C 4.050097 -1.727343 -0.152340
C 4.735451 -0.490760 -0.285339
H -1.846004 -0.088808 1.776192
H -0.886639 2.710993 -0.589600
H -0.772158 -1.709195 -0.640645
H -0.426746 -1.903265 1.081540
H -1.582816 0.147554 -1.992013
H -2.321047 1.774489 -1.994330
H -4.497342 0.929903 -1.250860
H -3.961719 -0.096231 -2.628165
H -1.990877 2.953949 1.725517
H -0.789390 1.842324 2.385667
H -0.267978 3.382948 1.694859
H 1.923702 2.695952 -0.112847
H -4.677724 -1.614290 -0.863054
H 2.149041 -2.724239 0.098801
H 4.583256 1.663228 -0.374370
H 4.630971 -2.647255 -0.167458
H 5.818984 -0.506743 -0.398046


%chk=000206445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206445

0 1
O -3.334380 -2.218094 1.220019
N -2.001925 0.957733 -0.071684
N 1.736820 1.690477 -0.037950
N -3.949040 -0.943886 -0.617813
C -1.870715 -0.355540 0.625689
C -0.845455 1.878315 0.160635
C -0.611501 -1.190873 0.190035
C 0.458214 1.111651 0.057781
C 0.581632 -0.276729 0.089267
C -2.402581 0.777850 -1.485143
C -3.120350 -1.230276 0.451849
C 1.996073 -0.585243 -0.006201
C -3.840028 0.231602 -1.504300
C -0.992412 2.610938 1.519842
C 2.700094 0.671497 -0.081268
C 2.742039 -1.792941 -0.028594
C 4.105736 0.743858 -0.182358
C 4.146185 -1.726536 -0.127300
C 4.820826 -0.472396 -0.203971
H -1.781743 -0.156916 1.708499
H -0.893484 2.646604 -0.639432
H -0.803639 -1.701817 -0.775846
H -0.459114 -1.991735 0.936519
H -1.725548 0.098274 -2.055305
H -2.392064 1.759338 -1.991304
H -4.532867 1.028532 -1.167762
H -4.119934 -0.064014 -2.533668
H -1.944449 3.167997 1.542261
H -0.985320 1.892600 2.357982
H -0.159007 3.320017 1.681263
H 1.933496 2.688342 -0.069266
H -4.767994 -1.552426 -0.704562
H 2.234408 -2.762364 0.031329
H 4.630562 1.704312 -0.240667
H 4.734288 -2.650933 -0.144471
H 5.913875 -0.453618 -0.279605


