%chk=000269187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269187

0 1
O 1.718558 3.389353 -1.200137
O 3.416844 2.364591 -0.361678
O 3.341303 -2.398266 0.938513
N 3.280904 -0.169506 0.311560
N 2.244084 2.387502 -0.745896
C -2.144736 0.237869 -1.568033
C -0.729076 0.154595 -1.068118
C -3.141150 -0.170565 -0.513104
C 0.111449 1.251516 -1.107801
C 1.454399 1.165242 -0.652415
C -0.232753 -1.070889 -0.552355
C 1.951080 -0.064922 -0.142246
C 1.067150 -1.177859 -0.104604
C -3.281508 0.598474 0.652830
C -3.936202 -1.311199 -0.693396
C -4.210911 0.227615 1.626919
C -4.866068 -1.676566 0.285007
C -5.005501 -0.909809 1.445314
C 3.915879 -1.337511 0.834929
C 5.341788 -1.099032 1.229223
H -2.246077 -0.395067 -2.477713
H -2.386160 1.267032 -1.915971
H -0.240155 2.217059 -1.493780
H -0.900311 -1.936895 -0.507075
H 1.430139 -2.138134 0.291481
H -2.661868 1.481592 0.798617
H -3.836062 -1.913962 -1.593372
H 3.855561 0.704675 0.253835
H -4.317073 0.826003 2.530741
H -5.483084 -2.562260 0.140834
H -5.729371 -1.196018 2.205439
H 5.969113 -0.782147 0.382555
H 5.785109 -2.029346 1.625290
H 5.442408 -0.337366 2.017008


%chk=000269187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269187

0 1
O 1.870964 3.345322 -1.510958
O 3.646517 2.258783 -0.603537
O 3.445200 -2.360411 1.209609
N 3.361434 -0.183547 0.302428
N 2.381595 2.297641 -0.962137
C -2.159689 0.279145 -1.487136
C -0.720514 0.176818 -0.989382
C -3.214711 -0.181316 -0.481790
C 0.184379 1.233930 -1.159401
C 1.533714 1.123109 -0.732009
C -0.240527 -1.011967 -0.365643
C 2.024679 -0.080973 -0.111479
C 1.087887 -1.144911 0.059224
C -3.274108 0.386707 0.817831
C -4.168009 -1.168224 -0.835111
C -4.264829 -0.019516 1.737888
C -5.162277 -1.578201 0.083651
C -5.213996 -1.004210 1.373869
C 4.010203 -1.267366 0.921842
C 5.479588 -0.988412 1.219102
H -2.264205 -0.324519 -2.410721
H -2.357782 1.328043 -1.782528
H -0.123278 2.174237 -1.625895
H -0.933670 -1.845995 -0.206811
H 1.440936 -2.062846 0.531938
H -2.539097 1.147555 1.108181
H -4.134410 -1.617488 -1.835817
H 3.907871 0.676473 0.106592
H -4.298519 0.430207 2.736704
H -5.891986 -2.342355 -0.206894
H -5.982851 -1.319528 2.087954
H 6.039168 -0.776413 0.289526
H 5.916673 -1.870531 1.707858
H 5.591354 -0.113442 1.885453


