%chk=000235482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235482

0 1
O 2.557764 -0.887667 0.988177
O 2.067868 2.301829 0.976096
O 2.585710 0.506922 -2.023865
O 5.854970 0.385779 0.065906
N 0.277423 -0.823626 0.554648
N -0.952702 -2.663746 -0.074553
N -1.505427 0.914919 0.374909
N -3.684179 -0.054454 -0.352302
N -3.960331 -2.346202 -0.820720
N -3.374016 2.279105 0.005769
C 1.688216 1.212159 0.139954
C 1.416891 -0.019749 1.053553
C 2.939658 0.827192 -0.689254
C 3.550706 -0.387770 0.042292
C 4.768783 -0.009642 0.902480
C -1.018038 -0.357858 0.293939
C 0.249105 -2.249051 0.319031
C -1.770055 -1.518139 -0.103243
C -3.144610 -1.317330 -0.427815
C -2.853184 0.999689 0.020142
C -4.818195 2.525392 -0.172738
H 0.827084 1.496199 -0.505041
H 1.279659 0.235996 2.131348
H 3.656728 1.676966 -0.805769
H 3.755377 -1.236098 -0.641550
H 5.064283 -0.843305 1.563353
H 4.574646 0.894052 1.517479
H 1.274974 2.846863 1.191348
H 1.915996 -0.213267 -2.060825
H 1.139173 -2.845919 0.469634
H 6.200650 -0.377348 -0.441815
H -3.603959 -3.289631 -0.852400
H -4.933709 -2.187641 -1.023133
H -2.816991 3.031910 0.402241
H -5.388866 2.326784 0.751442
H -5.232682 1.865174 -0.961492
H -4.976218 3.571015 -0.481725


%chk=000235482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235482

0 1
O 2.556356 -0.839857 1.153837
O 2.296322 2.294345 0.842757
O 2.354322 -0.083422 -1.991903
O 5.885380 0.551555 0.039881
N 0.267273 -0.814984 0.464861
N -0.945396 -2.630994 -0.246235
N -1.508010 0.917499 0.404880
N -3.670249 -0.016806 -0.363123
N -3.940383 -2.280757 -0.963970
N -3.423169 2.247258 0.216176
C 1.741679 1.176505 0.077180
C 1.371514 -0.001069 1.028944
C 2.877963 0.579012 -0.791958
C 3.598988 -0.392849 0.164102
C 4.768636 0.241443 0.943559
C -1.033318 -0.346353 0.237985
C 0.256987 -2.200904 0.172802
C -1.760445 -1.482226 -0.209584
C -3.136091 -1.265014 -0.518845
C -2.852309 1.000654 0.080406
C -4.836460 2.528369 -0.036758
H 0.880920 1.491000 -0.537450
H 1.079986 0.356200 2.033132
H 3.556809 1.358370 -1.165204
H 3.935477 -1.295220 -0.381533
H 5.073248 -0.440996 1.762221
H 4.461304 1.208651 1.368556
H 1.552146 2.806843 1.247427
H 1.683229 -0.768227 -1.734160
H 1.142133 -2.813615 0.315823
H 6.278023 -0.292363 -0.299821
H -3.552447 -3.214739 -1.077647
H -4.917964 -2.088996 -1.170292
H -2.809489 2.971974 0.585630
H -5.486518 2.166475 0.784036
H -5.160326 2.025262 -0.962483
H -4.973621 3.617477 -0.147729


