%chk=000212409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212409

0 1
O 4.513434 0.348915 0.661825
O 4.671461 -1.682920 -0.372350
N 0.245836 -1.029027 0.838767
N -3.282865 0.197121 0.335631
N 3.098475 -1.330980 1.329041
C -0.987501 -0.633040 0.083303
C -2.035044 -0.124433 1.099597
C 1.041261 -2.041469 0.067927
C 1.093301 0.168765 1.152717
C 2.255186 -2.488264 0.907517
C 2.300800 -0.269654 2.005382
C -4.041300 1.325941 0.966236
C -4.147796 -1.015245 0.160786
C -3.426836 2.676426 0.515045
C -4.968705 -0.873596 -1.147162
C -3.758747 2.962210 -0.953065
C -3.938285 3.804168 1.421032
C -6.111669 -1.896938 -1.152909
C -4.071512 -1.050620 -2.376809
C 4.115776 -0.957437 0.428592
C 5.719719 0.799647 -0.032266
C 5.373895 1.146214 -1.478054
C 6.535706 1.855450 -2.162931
H -1.395215 -1.517008 -0.453868
H -0.807882 0.140389 -0.693531
H -1.652549 0.788941 1.603688
H -2.183536 -0.878112 1.901971
H 0.388354 -2.921537 -0.121123
H 1.380175 -1.669658 -0.923074
H 1.443369 0.706950 0.245272
H 0.474447 0.886818 1.733681
H 2.877298 -3.214650 0.336134
H 1.915094 -2.996080 1.839526
H 1.952679 -0.694559 2.975647
H 2.953050 0.602216 2.236279
H -4.058729 1.263606 2.074348
H -5.102862 1.283629 0.639566
H -4.826974 -1.184014 1.022525
H -3.508960 -1.921644 0.094626
H -2.314487 2.615736 0.617013
H -5.410235 0.154447 -1.181785
H -4.830591 3.117763 -1.108416
H -3.237240 3.852048 -1.316741
H -3.457417 2.113103 -1.582885
H -5.029626 3.889605 1.386889
H -3.530541 4.772328 1.109533
H -3.649818 3.648697 2.465182
H -6.696488 -1.826082 -2.076832
H -6.801194 -1.739308 -0.317689
H -5.738528 -2.924381 -1.086531
H -3.663855 -2.063469 -2.444589
H -4.618558 -0.850452 -3.302882
H -3.222890 -0.354445 -2.331067
H 6.492572 0.015459 0.043895
H 5.990705 1.679864 0.577375
H 5.113238 0.214186 -2.025554
H 4.462980 1.776045 -1.504949
H 7.438711 1.232656 -2.177483
H 6.290484 2.091087 -3.205905
H 6.789931 2.799195 -1.666996


%chk=000212409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212409

0 1
O 4.926584 0.256063 0.681128
O 4.958802 -1.738450 -0.574381
N 0.153347 -0.815478 0.358718
N -3.520141 0.237578 0.420184
N 3.012936 -1.015992 0.522225
C -1.189031 -0.460607 -0.165791
C -2.136585 0.073197 0.932311
C 0.904379 -1.706801 -0.563355
C 0.974413 0.371964 0.707535
C 2.215054 -2.180407 0.092195
C 2.294259 -0.054871 1.380618
C -4.247586 1.375712 1.037519
C -4.303326 -1.025811 0.428575
C -3.840182 2.762679 0.474398
C -5.335871 -1.128799 -0.725186
C -4.225155 2.894510 -1.015620
C -4.476629 3.887279 1.324364
C -6.276315 -2.334131 -0.492227
C -4.628895 -1.220113 -2.095283
C 4.334591 -0.910294 0.147079
C 6.342649 0.482806 0.285751
C 6.438913 1.213754 -1.060842
C 7.907487 1.528813 -1.422871
H -1.632256 -1.378161 -0.596864
H -1.139856 0.291352 -0.992691
H -1.780891 1.059072 1.283267
H -2.084705 -0.617750 1.807669
H 0.276937 -2.587731 -0.792867
H 1.146704 -1.195152 -1.529864
H 1.207323 0.984653 -0.201672
H 0.412753 1.010624 1.411918
H 2.821800 -2.773079 -0.610892
H 1.973886 -2.804036 0.976595
H 2.059797 -0.539080 2.350539
H 2.939555 0.816045 1.562921
H -4.121150 1.381506 2.150724
H -5.329498 1.235711 0.846029
H -4.830856 -1.163300 1.406244
H -3.598103 -1.875229 0.335260
H -2.736219 2.856502 0.552726
H -5.949919 -0.203750 -0.717680
H -5.326770 2.898867 -1.134337
H -3.835422 3.834526 -1.448722
H -3.820572 2.043826 -1.591627
H -5.581826 3.818111 1.302725
H -4.196750 4.883533 0.935418
H -4.155022 3.830736 2.381757
H -7.020695 -2.418686 -1.305168
H -6.824444 -2.242285 0.464757
H -5.703098 -3.281529 -0.464112
H -4.074846 -2.175790 -2.185755
H -5.356804 -1.173201 -2.926437
H -3.909124 -0.390496 -2.209624
H 6.861771 -0.491677 0.240624
H 6.751512 1.093571 1.108962
H 5.984291 0.578495 -1.842962
H 5.851260 2.150221 -1.008197
H 8.505046 0.602463 -1.511550
H 7.967785 2.060631 -2.389042
H 8.384210 2.168487 -0.656015


