%chk=000222679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222679

0 1
O -0.351409 -2.067678 -0.018865
O -1.166104 -0.852617 1.761829
O 2.684788 -0.215581 -0.593530
O 2.240258 1.585426 0.744716
N 4.435798 0.826407 0.455479
C -1.585951 -1.610068 0.606589
C -2.323276 -0.708418 -0.388540
C 0.769346 -1.294141 0.454149
C 0.225094 -0.482111 1.643452
C -3.598122 -0.115171 0.219423
C -2.331177 -2.834592 1.097377
C -4.270126 0.872852 -0.742021
C 1.255489 -0.447152 -0.730820
C -5.552590 1.458876 -0.134557
C -6.227859 2.445565 -1.084510
C 3.055828 0.843555 0.230186
C 5.032064 2.092147 0.952803
C 5.303721 0.021035 -0.436338
H -1.644414 0.106001 -0.709688
H -2.552596 -1.286766 -1.304012
H 1.537495 -2.043600 0.744432
H 0.268490 0.614555 1.499301
H 0.677583 -0.751676 2.611262
H -4.304664 -0.924436 0.485743
H -3.342886 0.391963 1.173957
H -2.979664 -3.262178 0.325828
H -2.946341 -2.585608 1.973060
H -1.623828 -3.616998 1.408716
H -4.503946 0.371045 -1.700292
H -3.568699 1.691478 -0.994369
H 0.726071 0.516152 -0.831885
H 1.206545 -1.017612 -1.678936
H -6.256828 0.642646 0.119189
H -5.317462 1.963650 0.823318
H -5.570060 3.288763 -1.324407
H -7.141410 2.858376 -0.642246
H -6.507432 1.968707 -2.030647
H 5.369769 2.756327 0.141676
H 4.293106 2.644707 1.566687
H 5.892338 1.849772 1.599682
H 6.256951 -0.188492 0.077321
H 5.517959 0.519196 -1.395489
H 4.816352 -0.949404 -0.655622


%chk=000222679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222679

0 1
O -0.419050 -1.917820 -0.335964
O -1.056215 -0.763514 1.632337
O 3.062928 -0.585383 -0.492998
O 2.451580 1.631848 0.011383
N 4.663759 0.885985 0.280534
C -1.613184 -1.511070 0.483900
C -2.493340 -0.608014 -0.403485
C 0.791335 -1.290233 0.257400
C 0.213864 -0.174414 1.157864
C -3.781075 -0.103290 0.283607
C -2.298445 -2.760529 1.031842
C -4.546719 0.921297 -0.583098
C 1.665909 -0.841343 -0.922717
C -5.842018 1.434386 0.086260
C -6.604377 2.458546 -0.782001
C 3.335569 0.731028 -0.053803
C 5.123345 2.197793 0.761816
C 5.671591 -0.179850 0.171497
H -1.879967 0.257321 -0.723865
H -2.743979 -1.173978 -1.321965
H 1.334023 -2.047145 0.858607
H 0.048373 0.757697 0.587275
H 0.819523 0.044019 2.049129
H -4.451591 -0.957071 0.508882
H -3.512530 0.357482 1.254964
H -2.756955 -3.338534 0.211345
H -3.083064 -2.481970 1.755344
H -1.555916 -3.393330 1.543985
H -4.798171 0.464388 -1.563619
H -3.883331 1.783743 -0.803746
H 1.248154 0.058853 -1.405636
H 1.753103 -1.663684 -1.649430
H -6.503407 0.572148 0.309452
H -5.588098 1.891743 1.064230
H -5.974654 3.342785 -0.996182
H -7.523652 2.812042 -0.279600
H -6.898508 2.014773 -1.752100
H 5.886313 2.617175 0.077848
H 4.263335 2.882219 0.805222
H 5.568075 2.105601 1.771279
H 6.116078 -0.392317 1.163384
H 6.484262 0.130159 -0.514038
H 5.205328 -1.094638 -0.215740


