%chk=000231015.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231015

0 1
O 4.012901 1.764977 1.766994
O 6.030637 -1.282822 0.493654
O 4.327086 -1.750442 -1.620032
O 1.714428 1.164309 -1.186220
O -6.356658 -0.552903 0.677041
N 2.490779 -0.320087 0.366110
C 3.933888 -0.046495 0.111351
C 4.253024 1.449773 0.392875
C 4.774048 -0.945733 1.069459
C 4.275137 -0.338340 -1.374466
C 1.456431 0.342144 -0.315608
C 0.086648 -0.039549 0.094662
C -0.971498 0.536343 -0.505055
C -2.373769 0.259163 -0.204014
C -2.760497 -0.678233 0.780106
C -3.373365 0.948049 -0.917262
C -5.078277 -0.215810 0.314329
C -4.098861 -0.923071 1.046806
C -4.726573 0.720788 -0.668720
C -7.456185 0.104967 -0.001484
H 3.665094 2.121588 -0.261116
H 5.337030 1.648367 0.275947
H 5.053787 -0.384588 1.988131
H 4.240210 -1.871506 1.345928
H 5.304544 -0.008123 -1.620223
H 3.552687 0.138996 -2.064906
H 2.276551 -0.973395 1.114334
H 3.049079 1.821859 1.935310
H 5.895231 -1.893231 -0.281692
H 3.430116 -2.138052 -1.546318
H -0.020400 -0.785089 0.878141
H -0.794207 1.286017 -1.295285
H -1.994429 -1.218672 1.339732
H -3.089817 1.675754 -1.681150
H -4.412258 -1.641799 1.801585
H -5.479878 1.263349 -1.230575
H -7.427347 1.182338 0.184545
H -8.325629 -0.355409 0.487433
H -7.438087 -0.129232 -1.069647


%chk=000231015-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231015

0 1
O 3.818403 1.903604 1.650659
O 6.127726 -1.216447 0.619843
O 4.538598 -1.821217 -1.607668
O 1.689478 1.276178 -1.178938
O -6.482164 -0.579510 0.670293
N 2.537782 -0.317734 0.304212
C 3.979049 -0.038843 0.075591
C 4.330102 1.455186 0.353874
C 4.769711 -0.951477 1.072148
C 4.380470 -0.367153 -1.387197
C 1.484212 0.358762 -0.312653
C 0.128615 -0.077991 0.115331
C -0.984809 0.508689 -0.424479
C -2.389414 0.218184 -0.133887
C -2.813784 -0.775631 0.802405
C -3.397699 0.957580 -0.812479
C -5.160280 -0.259659 0.351759
C -4.171881 -1.013269 1.043344
C -4.769811 0.732762 -0.582624
C -7.549398 0.165496 -0.007776
H 3.954849 2.095152 -0.465937
H 5.427592 1.537859 0.427886
H 4.858684 -0.436937 2.042987
H 4.214250 -1.906156 1.217159
H 5.377003 0.051195 -1.598420
H 3.645359 0.065547 -2.087681
H 2.306286 -0.995193 1.035562
H 2.844783 2.062408 1.564574
H 6.041986 -1.788041 -0.193050
H 3.645467 -2.246928 -1.589355
H 0.053837 -0.875392 0.867045
H -0.785751 1.295295 -1.168332
H -2.070091 -1.367532 1.346971
H -3.096412 1.725511 -1.535247
H -4.503009 -1.772129 1.758646
H -5.512957 1.324154 -1.125120
H -7.488177 1.247030 0.219488
H -8.485425 -0.247270 0.394801
H -7.511579 0.010119 -1.103036


