%chk=000252711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252711

0 1
O -7.697062 -2.434604 0.000962
O -7.188751 -0.969287 -1.647527
O 5.565463 1.763439 -1.592064
O 3.478651 2.285357 -1.432840
O 6.069511 -3.639424 1.322006
O 7.357316 -2.249554 0.276726
N 0.557212 0.359014 0.257685
N 1.799513 0.755803 -0.208040
N 4.432903 1.528436 -1.216108
N 6.270844 -2.606096 0.703672
C -3.031418 2.619330 -0.114525
C -1.904810 2.807840 -1.150125
C -2.915306 1.262830 0.550493
C -0.522189 2.486263 -0.572615
C -4.183940 0.683254 1.115622
C -1.749063 0.597745 0.634006
C -0.491856 1.129767 0.087420
C -3.020229 3.722294 0.949860
C -4.943091 -0.101654 0.036313
C -6.224701 -0.722762 0.600016
C -7.049673 -1.326842 -0.502937
C 2.878024 -0.068810 0.008274
C 4.178927 0.305867 -0.477811
C 2.752237 -1.310344 0.723401
C 5.285029 -0.541735 -0.239669
C 3.834921 -2.115275 0.942073
C 5.121998 -1.728723 0.456472
C -8.585398 -3.146319 -0.901750
H -4.008292 2.670466 -0.663964
H -2.101650 2.155326 -2.025226
H -1.915388 3.845278 -1.536968
H 0.235897 2.569529 -1.379952
H -0.241364 3.254498 0.183101
H -3.960995 0.021674 1.979189
H -4.826882 1.488836 1.527450
H -1.680568 -0.383709 1.112768
H -2.105003 3.695956 1.553393
H -3.082505 4.716517 0.491997
H -3.867291 3.627609 1.638792
H -5.194101 0.561485 -0.819446
H -4.291137 -0.895166 -0.383886
H -6.842565 0.041899 1.120624
H -5.992138 -1.487624 1.373319
H 1.925215 1.650629 -0.743840
H 1.759102 -1.596332 1.089789
H 6.282030 -0.246259 -0.615752
H 3.745564 -3.064480 1.487504
H -9.493175 -2.552743 -1.044504
H -8.086034 -3.328810 -1.859346
H -8.785086 -4.076790 -0.359938


%chk=000252711-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252711

0 1
O -8.237907 -2.174165 0.050644
O -7.436790 -0.775959 -1.631120
O 5.583962 2.149683 -1.469523
O 3.332641 2.455884 -1.286969
O 6.586695 -3.372524 1.347498
O 7.787212 -1.741510 0.286523
N 0.657320 0.156668 0.359144
N 1.862751 0.665689 -0.109438
N 4.426273 1.747557 -1.074565
N 6.677511 -2.240180 0.724946
C -2.977731 2.363487 -0.178565
C -1.870795 2.490771 -1.255116
C -2.887106 1.009168 0.521866
C -0.458862 2.178018 -0.703898
C -4.158633 0.421019 1.102147
C -1.684416 0.351344 0.623567
C -0.436458 0.873371 0.083586
C -2.926852 3.521342 0.861572
C -5.086458 -0.179670 0.007151
C -6.383034 -0.756815 0.612269
C -7.368663 -1.204544 -0.456456
C 3.030519 -0.031331 0.092629
C 4.304637 0.475124 -0.371398
C 3.023571 -1.294630 0.773708
C 5.496683 -0.252768 -0.161937
C 4.199006 -2.008572 0.979839
C 5.435803 -1.480050 0.506759
C -9.282258 -2.656984 -0.888030
H -3.959756 2.428253 -0.690046
H -2.093068 1.785522 -2.078848
H -1.877425 3.509487 -1.685867
H 0.253680 2.139770 -1.551554
H -0.110216 3.001234 -0.046115
H -3.912527 -0.367194 1.839417
H -4.723926 1.208029 1.644164
H -1.613808 -0.605275 1.155107
H -1.963600 3.534949 1.402163
H -3.056023 4.496228 0.356848
H -3.729119 3.422111 1.614767
H -5.352132 0.588774 -0.741199
H -4.542870 -0.973910 -0.538012
H -6.890531 0.016154 1.225797
H -6.179929 -1.605261 1.289510
H 1.976228 1.572731 -0.608539
H 2.058707 -1.668403 1.120824
H 6.449197 0.144753 -0.521328
H 4.199834 -2.971021 1.497910
H -9.925055 -1.819838 -1.208162
H -8.814295 -3.113637 -1.776075
H -9.853291 -3.399280 -0.313502


