%chk=000193031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193031

0 1
O 2.204712 3.262140 0.965153
O -0.823893 -1.613765 1.210644
O -1.691065 -2.028335 -0.812189
O 0.701497 -3.919325 0.988533
O 2.304961 -4.383058 -0.497136
N -0.052692 0.724695 -0.447833
N 4.949665 1.441598 -0.686783
C -1.423913 0.321947 -0.018104
C 0.882617 0.867949 0.710474
C 2.285571 1.036636 0.188466
C -2.487440 0.788440 -1.028616
C 2.995396 0.002132 -0.447025
C 2.385165 -1.342063 -0.721194
C 2.941366 2.272591 0.354847
C -3.876763 0.599430 -0.481289
C 4.321757 0.254351 -0.860113
C 2.229031 -2.162801 0.566514
C -1.362166 -1.211052 0.010997
C 4.278351 2.456130 -0.087233
C -4.532213 -0.630709 -0.642398
C -4.521044 1.649293 0.189278
C 4.993999 3.754772 0.084300
C 1.823081 -3.566346 0.244676
C -5.823469 -0.805185 -0.139726
C -5.813611 1.468600 0.690234
C -6.466949 0.243331 0.526566
H -1.696020 0.684478 1.011284
H 0.825807 -0.066233 1.334026
H 0.614144 1.714272 1.386657
H -2.319268 1.851714 -1.296328
H -2.369015 0.227283 -1.985089
H -0.073015 1.589109 -0.998727
H 1.387799 -1.201598 -1.206342
H 2.992509 -1.909507 -1.460288
H 4.914864 -0.524959 -1.355246
H 1.479754 -1.669729 1.240313
H 3.184479 -2.185254 1.136576
H -4.027235 -1.452667 -1.156791
H -4.020477 2.605970 0.319688
H 5.097652 4.028851 1.142647
H 6.020779 3.696326 -0.323345
H 4.494646 4.570997 -0.454893
H -6.329583 -1.761137 -0.267756
H -6.312409 2.285701 1.208819
H 2.734289 4.091459 1.081678
H -7.473425 0.105373 0.916183
H -0.682012 -2.613670 1.264981
H 0.390885 -4.844676 0.796112


%chk=000193031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193031

0 1
O 2.381005 3.420660 0.951343
O -0.789067 -1.580304 1.311799
O -1.679453 -1.968844 -0.797169
O 0.610434 -3.846945 0.907502
O 2.429662 -4.537107 -0.352990
N -0.117151 0.804646 -0.349477
N 4.982344 1.371816 -0.729996
C -1.477390 0.365473 0.064359
C 0.862559 1.040332 0.740212
C 2.289892 1.119189 0.211692
C -2.540948 0.830905 -0.959180
C 2.950063 0.022016 -0.417593
C 2.286863 -1.331199 -0.620561
C 3.025326 2.325573 0.341110
C -3.970090 0.581585 -0.493111
C 4.280257 0.211486 -0.867452
C 2.455028 -2.266663 0.628208
C -1.382376 -1.170723 0.123270
C 4.367058 2.428886 -0.127999
C -4.649872 -0.619729 -0.822083
C -4.643309 1.549289 0.297399
C 5.155666 3.714919 0.019759
C 1.901573 -3.642656 0.331852
C -5.970185 -0.845539 -0.371306
C -5.962717 1.325710 0.750348
C -6.631469 0.125063 0.416308
H -1.743340 0.746200 1.074416
H 0.773852 0.189733 1.439346
H 0.636335 1.959631 1.318454
H -2.389150 1.916537 -1.121784
H -2.346576 0.311849 -1.915468
H -0.131631 1.550614 -1.053827
H 1.215766 -1.181909 -0.840065
H 2.747621 -1.836675 -1.489111
H 4.810867 -0.607939 -1.367100
H 1.954841 -1.830769 1.507119
H 3.530820 -2.379459 0.848729
H -4.133465 -1.376731 -1.422708
H -4.133718 2.487843 0.551737
H 5.283888 4.011896 1.080465
H 6.157202 3.557311 -0.408179
H 4.687635 4.561992 -0.522062
H -6.482611 -1.777521 -0.635919
H -6.469551 2.085692 1.356043
H 2.985545 4.203331 0.982907
H -7.656256 -0.049926 0.763014
H -0.457441 -2.537076 1.245200
H 0.252765 -4.728965 0.617752


