%chk=000221611.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221611

0 1
O 3.551938 0.349222 0.720120
O 1.907889 2.742218 0.231154
O 2.235178 -2.194064 0.228998
O -2.131553 -0.399738 -2.244278
O -4.344637 -0.530980 1.557474
O -6.013257 -1.033757 0.151376
N -2.789083 0.572437 -0.285128
C -0.417223 0.134177 -0.626851
C 2.237060 0.270297 0.272836
C 1.496653 1.451846 0.049331
C 1.599256 -0.977170 0.082789
C 0.159816 1.380562 -0.401018
C 0.277677 -1.052796 -0.378957
C -1.822180 0.043843 -1.155279
C -4.214934 0.450846 -0.614974
C 4.516776 -0.056515 -0.297088
C 3.245826 2.985320 0.741293
C 2.908872 -2.409476 1.500626
C -4.973626 -0.452782 0.335179
H -0.383151 2.307808 -0.583691
H -0.175670 -2.028917 -0.552737
H -2.570028 0.810190 0.681528
H -4.335356 0.055578 -1.665367
H -4.696358 1.461461 -0.604915
H 4.467886 0.627306 -1.148071
H 4.322142 -1.088225 -0.611241
H 5.466947 0.030051 0.238735
H 3.981399 2.728297 -0.025262
H 3.419321 2.411840 1.658911
H 3.215375 4.064580 0.932240
H 2.150354 -2.559208 2.274258
H 3.572939 -1.574409 1.751050
H 3.469454 -3.330871 1.307075
H -4.824801 -1.123569 2.197585


%chk=000221611-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221611

0 1
O 3.688533 0.526481 0.273652
O 1.620548 2.420489 0.981964
O 2.880152 -2.120445 -0.560804
O -2.212393 -2.155331 -0.259317
O -4.412149 2.155487 -0.226994
O -6.381787 0.923725 -0.355806
N -2.814173 0.074952 -0.166133
C -0.429801 -0.514708 0.009983
C 2.325917 0.157652 0.218288
C 1.327529 1.103141 0.591104
C 1.923083 -1.149324 -0.187136
C -0.039363 0.762743 0.481222
C 0.560708 -1.475900 -0.302862
C -1.867334 -0.934378 -0.143678
C -4.229693 -0.262130 -0.293838
C 4.358578 0.567573 -1.052753
C 2.592160 2.602176 2.084831
C 3.782837 -2.558434 0.530415
C -5.137613 0.953010 -0.294873
H -0.761321 1.522567 0.797890
H 0.260628 -2.476433 -0.626248
H -2.561359 1.063839 -0.163920
H -4.551690 -0.933552 0.525753
H -4.421693 -0.834525 -1.223793
H 3.893360 1.347451 -1.682667
H 4.291595 -0.416410 -1.549077
H 5.407260 0.825932 -0.841669
H 3.567538 2.159031 1.826921
H 2.198429 2.147532 3.014250
H 2.678151 3.692199 2.209521
H 3.197493 -3.050414 1.329708
H 4.346170 -1.703272 0.945065
H 4.467524 -3.284454 0.066738
H -5.036923 2.929134 -0.238035


