%chk=000244124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244124

0 1
O 3.700430 2.291450 0.341718
O -3.588892 1.277537 -0.266478
O 9.297138 -2.147499 2.737638
O 8.500594 -2.788837 0.832397
O -10.168985 -1.158025 2.513353
O -9.575110 -2.249216 0.743239
N 0.439209 0.442818 -2.017482
N 3.176137 1.412785 -1.737390
N -3.302968 -0.089486 -2.103303
N 4.825001 0.372249 -0.310358
N -5.179054 -0.378460 -0.671252
N 8.526540 -2.042058 1.798362
N -9.399439 -1.394736 1.597538
C 0.721188 1.708648 -1.261593
C 1.577428 -0.522171 -1.865469
C 2.013389 2.353397 -1.798342
C 2.854414 0.134456 -2.431971
C -0.853020 -0.169829 -1.573703
C -1.974831 0.502089 -2.397975
C 3.863261 1.406568 -0.482422
C 5.728630 0.274781 0.788066
C -3.980590 0.344014 -0.945910
C 6.661769 -0.779822 0.756561
C 5.704201 1.161354 1.886879
C 7.545739 -0.925010 1.831354
C -6.080459 -0.073215 0.391507
C 6.600436 0.988193 2.938281
C 7.532782 -0.056817 2.926421
C -7.260570 -0.837867 0.469107
C -5.823536 0.927657 1.353419
C -8.155012 -0.584394 1.514684
C -6.737081 1.153692 2.379797
C -7.914365 0.401344 2.475734
H 0.801974 1.554069 -0.162656
H -0.131930 2.405588 -1.420541
H 1.341892 -1.434385 -2.456107
H 1.742845 -0.845206 -0.815268
H 2.250918 3.276170 -1.218431
H 1.892638 2.649995 -2.865052
H 2.703086 0.383876 -3.511655
H 3.708948 -0.570972 -2.389634
H -1.054082 -0.046250 -0.486173
H -0.844390 -1.262636 -1.768444
H -1.779005 0.394219 -3.488675
H -2.009338 1.597311 -2.181143
H -3.489104 -0.998268 -2.514614
H 4.984336 -0.283579 -1.081647
H 6.712407 -1.482658 -0.079442
H 4.980825 1.989865 1.910024
H -5.500753 -1.084186 -1.336991
H 6.577192 1.678131 3.785016
H 8.237790 -0.195163 3.750960
H -7.493430 -1.618905 -0.260081
H -4.905960 1.530613 1.290780
H -6.533284 1.929942 3.121089
H -8.633549 0.576540 3.280977


%chk=000244124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244124

0 1
O 4.134405 2.326739 0.773789
O -3.866600 1.270902 -0.057426
O 10.688671 -1.644705 1.384759
O 9.223164 -2.543382 -0.112264
O -11.145940 -0.827980 1.425687
O -10.256845 -1.872539 -0.395201
N 0.275824 0.085484 -1.337696
N 2.953010 0.927380 -0.674498
N -3.485670 -0.120049 -1.890007
N 5.177548 0.381410 -0.040859
N -5.584173 -0.157774 -0.842576
N 9.557866 -1.651571 0.762835
N -10.179556 -1.051019 0.600444
C 0.501462 1.258429 -0.449952
C 1.348577 -0.913436 -1.134888
C 1.853102 1.914374 -0.772831
C 2.728150 -0.298060 -1.466386
C -1.089355 -0.478875 -1.224459
C -2.101668 0.350237 -2.055182
C 4.089087 1.273685 0.063597
C 6.403293 0.436973 0.667204
C -4.283986 0.390711 -0.869096
C 7.351472 -0.581450 0.391418
C 6.722123 1.443926 1.624831
C 8.584510 -0.574154 1.070037
C -6.619145 0.120536 0.083895
C 7.968916 1.413211 2.285092
C 8.923640 0.409227 2.023883
C -7.847863 -0.564410 -0.093214
C -6.479878 1.038831 1.164849
C -8.902837 -0.321366 0.806168
C -7.562255 1.252479 2.044558
C -8.791638 0.580523 1.885616
H 0.482657 0.957910 0.626833
H -0.302034 1.998755 -0.604204
H 1.174292 -1.771865 -1.809656
H 1.371824 -1.297011 -0.083018
H 2.074543 2.731085 -0.068357
H 1.822482 2.322780 -1.803265
H 2.761549 -0.058225 -2.549170
H 3.492496 -1.064756 -1.253457
H -1.444875 -0.521749 -0.167757
H -1.071607 -1.516912 -1.608598
H -1.824657 0.309938 -3.123018
H -2.074328 1.404519 -1.733424
H -3.819303 -0.872087 -2.493872
H 5.111612 -0.374967 -0.721707
H 7.156209 -1.378083 -0.334362
H 5.991399 2.229280 1.824522
H -5.829146 -0.824219 -1.577909
H 8.196647 2.194564 3.017468
H 9.893257 0.372715 2.525194
H -8.005230 -1.278461 -0.908665
H -5.532874 1.566286 1.291457
H -7.439141 1.960820 2.870198
H -9.638783 0.735100 2.557336


