%chk=000259609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259609

0 1
O 0.424106 0.782788 0.977777
O -2.722170 1.508764 -0.194873
O -2.712829 3.396059 1.103894
O 3.463590 -1.007214 -1.995844
O 5.874867 -0.530068 1.694520
O 7.420442 -0.121265 0.124084
N -0.927913 2.908177 -0.307574
N 1.026150 -0.232150 -0.967310
N 4.187891 -1.739125 0.040666
C -0.182619 1.920917 -1.116502
C 0.948753 2.769539 -1.741905
C 1.194386 3.936857 -0.762308
C -0.029459 4.005432 0.171222
C 0.424845 0.799920 -0.239637
C 1.759579 -1.309582 -0.274132
C 1.138523 -2.696135 -0.511928
C -0.301762 -2.802283 0.036663
C -2.148095 2.667752 0.312454
C 3.195795 -1.305512 -0.844672
C -0.364295 -2.496982 1.535956
C -0.861327 -4.200296 -0.257040
C -4.114686 1.295057 0.229869
C 5.600687 -1.696371 -0.364611
C -4.448438 -0.096664 -0.218854
C 6.413072 -0.701198 0.439439
C -5.612781 -0.330281 -0.965365
C -3.613065 -1.167412 0.130144
C -5.943692 -1.633183 -1.347787
C -3.946131 -2.466073 -0.262199
C -5.111892 -2.701872 -0.997242
H -0.875860 1.473574 -1.875317
H 1.870880 2.189442 -1.916718
H 0.628426 3.152390 -2.728979
H 1.333739 4.885392 -1.308635
H 2.118284 3.770434 -0.179688
H -0.576232 4.969087 0.096841
H 0.249348 3.854336 1.236325
H 1.761153 -1.080317 0.833096
H 1.776750 -3.468134 -0.038640
H 1.135450 -2.932151 -1.595276
H 1.044233 -0.260551 -1.984898
H -0.934302 -2.050209 -0.502454
H 0.325094 -3.118180 2.114775
H -1.368864 -2.670782 1.937881
H -0.120786 -1.441575 1.739926
H -0.351782 -4.976478 0.322950
H -1.932338 -4.248569 -0.002077
H -0.770034 -4.462891 -1.316056
H 4.017621 -1.849838 1.039462
H -4.164939 1.411409 1.331227
H -4.722948 2.082169 -0.250105
H 6.061446 -2.709919 -0.250555
H 5.681388 -1.433522 -1.458813
H -6.260574 0.497806 -1.247738
H -2.702276 -0.974451 0.700525
H -6.850455 -1.815139 -1.922327
H -3.288055 -3.300009 0.004465
H -5.372094 -3.714937 -1.297629
H 6.384794 0.123617 2.247028


%chk=000259609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259609

0 1
O 1.890938 1.823622 0.927440
O -1.873501 1.173784 -1.642484
O -3.638042 1.887397 -0.236911
O 1.113505 -1.563603 -2.503765
O 5.796399 -2.318972 -1.470868
O 5.928421 -3.261566 -3.595030
N -1.429541 2.570164 0.132820
N 0.652631 0.410653 -0.456043
N 3.237987 -1.751145 -1.598853
C -0.026462 2.776520 -0.337816
C 0.357371 4.123616 0.310144
C -0.432970 4.122559 1.644718
C -1.779104 3.450122 1.285010
C 0.929519 1.629745 0.115117
C 1.451675 -0.791564 -0.183617
C 0.650584 -1.870729 0.604207
C 0.142304 -1.408465 1.994599
C -2.413627 1.888543 -0.535611
C 1.912253 -1.386977 -1.528385
C 1.302608 -1.074356 2.963139
C -0.783179 -2.495827 2.591194
C -2.878041 0.397110 -2.455869
C 3.776660 -2.375044 -2.808136
C -3.111905 -0.992454 -1.902810
C 5.253252 -2.710104 -2.705285
C -2.220672 -2.049572 -2.224045
C -4.227500 -1.252693 -1.065578
C -2.447634 -3.349329 -1.718235
C -4.454011 -2.553327 -0.562579
C -3.566312 -3.605512 -0.890518
H -0.019816 2.810983 -1.442430
H 1.444005 4.188718 0.472677
H 0.030613 4.955603 -0.339923
H -0.580598 5.135527 2.053903
H 0.114069 3.520883 2.390650
H -2.545996 4.182567 0.968874
H -2.204296 2.854471 2.110953
H 2.320930 -0.457652 0.411467
H 1.301224 -2.761379 0.733775
H -0.209097 -2.185420 -0.018788
H -0.149344 0.337071 -1.099811
H -0.460745 -0.489015 1.845090
H 1.971973 -1.948741 3.088088
H 0.909349 -0.810163 3.962471
H 1.901278 -0.216874 2.607129
H -0.224924 -3.437212 2.762407
H -1.198554 -2.170504 3.562977
H -1.629769 -2.718659 1.915044
H 3.885552 -1.562339 -0.830470
H -3.808935 0.987552 -2.481345
H -2.406311 0.371492 -3.450968
H 3.227686 -3.305660 -3.050355
H 3.634675 -1.717422 -3.688458
H -1.336245 -1.854725 -2.842356
H -4.897469 -0.428073 -0.798783
H -1.754742 -4.159028 -1.973293
H -5.319131 -2.746050 0.081802
H -3.744986 -4.615816 -0.504576
H 6.764597 -2.543131 -1.436199


