%chk=000265698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265698

0 1
O -0.627605 1.476004 -0.254050
O 0.193310 0.843228 1.791002
O -5.011551 2.838134 -0.913150
O 5.292935 2.398422 -1.760323
O 0.909140 3.014879 1.904375
N 1.047815 -1.723706 0.423571
N -1.621154 -2.591832 -0.065091
C 0.372753 0.629604 0.373634
C 0.058968 -0.859387 0.248727
C -1.315226 -1.291528 -0.006202
C 1.693397 1.092853 -0.169406
C -2.334469 -0.275555 -0.211831
C -1.939940 1.080616 -0.313749
C 0.744690 -3.076820 0.351406
C -3.703274 -0.577748 -0.346338
C -0.597232 -3.511569 0.115006
C 1.751004 1.943420 -1.290987
C 2.877818 0.670389 0.451257
C -2.850156 2.110908 -0.550333
C -4.203901 1.758054 -0.683528
C -4.641766 0.422351 -0.578389
C 2.975538 2.357529 -1.796319
C 4.121355 1.075584 -0.037901
C 1.784276 -4.046349 0.522396
C 4.155063 1.916922 -1.158336
C -0.883080 -4.913480 0.059627
C 0.452236 2.047729 2.444717
C 1.476815 -5.381446 0.461241
C 0.135534 -5.816063 0.229600
C 0.059524 1.846537 3.868496
C -6.435533 2.610104 -1.070368
C 6.572548 2.035519 -1.186724
H -4.023206 -1.622798 -0.269028
H 0.822354 2.282570 -1.760302
H 2.827664 0.010932 1.322069
H -2.524831 3.146676 -0.627691
H -5.690161 0.165693 -0.678572
H 3.045384 3.015108 -2.659435
H 5.028939 0.739874 0.449818
H 2.801161 -3.690884 0.696543
H -1.913122 -5.225081 -0.120103
H 2.252394 -6.136698 0.587832
H -0.061768 -6.888151 0.189612
H -0.219475 0.801908 4.085803
H -0.806704 2.478727 4.121414
H 0.882508 2.127247 4.543206
H -6.624034 1.974987 -1.940688
H -6.804972 3.630676 -1.239756
H -6.855515 2.187370 -0.153320
H 6.717173 0.952685 -1.236598
H 6.650131 2.412781 -0.162964
H 7.272248 2.557777 -1.852371


%chk=000265698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265698

0 1
O -0.624036 1.462911 -0.505712
O 0.152989 0.847999 1.700596
O -5.165422 2.852994 -0.830060
O 5.558629 2.255492 -1.640314
O 0.601259 3.167513 1.654203
N 1.072190 -1.712855 0.164891
N -1.657943 -2.590055 -0.047140
C 0.358115 0.655408 0.213108
C 0.055699 -0.847785 0.079525
C -1.328368 -1.274849 -0.048109
C 1.735430 1.093984 -0.245333
C -2.368698 -0.259184 -0.194137
C -1.980916 1.092665 -0.414835
C 0.757928 -3.065752 0.145600
C -3.752655 -0.560900 -0.185720
C -0.622586 -3.502758 0.060144
C 1.906684 1.803599 -1.459302
C 2.872424 0.755101 0.519958
C -2.922245 2.108624 -0.626300
C -4.298597 1.778013 -0.615032
C -4.721134 0.436528 -0.389815
C 3.190307 2.173390 -1.894422
C 4.166495 1.124870 0.098732
C 1.804217 -4.032835 0.225252
C 4.325314 1.836870 -1.116416
C -0.913319 -4.902582 0.074530
C 0.301552 2.137902 2.281045
C 1.492614 -5.396021 0.231496
C 0.128780 -5.830248 0.159013
C 0.025414 2.028204 3.766783
C -6.607476 2.583334 -0.826620
C 6.762911 1.943643 -0.868515
H -4.045584 -1.603070 -0.026193
H 1.029300 2.079273 -2.049193
H 2.748033 0.192833 1.450208
H -2.600905 3.139339 -0.791619
H -5.781918 0.172916 -0.377441
H 3.337932 2.728040 -2.825784
H 5.029331 0.855004 0.714495
H 2.835629 -3.671023 0.280904
H -1.961401 -5.211040 0.011797
H 2.292576 -6.141640 0.292202
H -0.094132 -6.902823 0.167175
H 0.730132 1.317653 4.232648
H -0.992926 1.637023 3.934422
H 0.127988 3.017927 4.234953
H -6.884838 1.876584 -1.631895
H -7.079019 3.559506 -1.009780
H -6.938651 2.185149 0.151574
H 6.897619 0.850088 -0.754651
H 6.735830 2.419719 0.131163
H 7.595449 2.360025 -1.454580


