%chk=000222802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222802

0 1
O -3.383121 1.021915 1.654413
O 2.346474 -2.638420 -1.277164
O -5.465118 -0.293590 -0.752663
O 5.795433 1.099430 1.269082
C -2.138163 0.221953 -0.251989
C -1.237631 -0.746847 0.579991
C 0.125667 -0.941148 -0.095110
C 0.833136 0.447604 -0.130340
C -3.483106 0.108952 0.548978
C 2.241739 0.339543 -0.803620
C -1.469339 1.604028 -0.240157
C -0.050771 1.507141 -0.823546
C -2.139436 -1.966707 0.834399
C -3.548861 -1.362601 1.027400
C 0.972184 -1.983220 0.655481
C 3.012234 -0.721793 -0.021781
C -2.386363 -0.252416 -1.689778
C 2.384687 -2.104358 0.061058
C 2.981760 1.707165 -0.772636
C 2.145107 -0.091508 -2.276187
C -4.732367 0.535609 -0.262391
C 3.700592 2.004403 0.540543
C 4.122093 -0.474907 0.687619
C 4.675099 0.888440 0.860534
C -4.961739 2.006722 -0.393262
H -1.057322 -0.260969 1.576606
H -0.012698 -1.299636 -1.146465
H 0.996517 0.778781 0.925007
H -1.443594 1.994971 0.798104
H -2.064322 2.336294 -0.813923
H -0.115926 1.287535 -1.907717
H 0.443289 2.497470 -0.746821
H -1.819166 -2.538480 1.718584
H -2.123450 -2.667240 -0.017617
H -4.305823 -1.925175 0.444095
H -3.869912 -1.418971 2.079731
H 0.465290 -2.965467 0.625756
H 1.048803 -1.716958 1.728113
H -1.442219 -0.486901 -2.198687
H -3.001890 -1.160260 -1.727768
H -2.893770 0.510307 -2.289252
H 3.007697 -2.802778 0.669406
H 2.266042 2.523689 -0.997341
H 3.726088 1.735505 -1.596207
H 3.133537 -0.333567 -2.686174
H 1.544157 -1.008325 -2.388741
H 1.695648 0.683821 -2.901697
H -3.814320 0.653893 2.451444
H 2.982395 2.111156 1.377858
H 4.235737 2.973792 0.483226
H 4.685919 -1.255507 1.200442
H 1.957153 -3.535083 -1.267842
H -4.588415 2.560115 0.484862
H -4.438800 2.408349 -1.272699
H -6.028235 2.238448 -0.522357


%chk=000222802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222802

0 1
O -3.212256 0.925478 1.814182
O 2.411558 -2.770409 -1.261425
O -5.595376 -0.143774 -0.601287
O 5.547323 1.197075 1.818768
C -2.173754 0.199801 -0.291686
C -1.241123 -0.774857 0.501941
C 0.142874 -0.960736 -0.153514
C 0.840124 0.439701 -0.256040
C -3.474169 0.102641 0.603751
C 2.299105 0.327711 -0.876725
C -1.486284 1.583719 -0.361868
C -0.069333 1.465733 -0.987879
C -2.132172 -2.013730 0.758858
C -3.562449 -1.414768 0.964535
C 1.004127 -1.966231 0.644623
C 3.038044 -0.722089 -0.034318
C -2.516495 -0.315854 -1.716927
C 2.436299 -2.113705 0.065619
C 3.082103 1.679201 -0.829321
C 2.245198 -0.085894 -2.381210
C -4.751791 0.642508 -0.089799
C 3.626725 2.069628 0.559318
C 4.086048 -0.416139 0.797452
C 4.529098 0.963319 1.099307
C -4.936534 2.152302 -0.159366
H -1.072006 -0.286408 1.486342
H 0.013660 -1.372353 -1.175019
H 0.965256 0.801359 0.790857
H -1.412912 1.998895 0.660172
H -2.083865 2.296011 -0.964236
H -0.155716 1.191164 -2.056175
H 0.399926 2.466893 -0.961195
H -1.799622 -2.593647 1.637546
H -2.114192 -2.697011 -0.111805
H -4.315624 -1.901425 0.322774
H -3.906824 -1.537163 2.009638
H 0.518010 -2.962791 0.661200
H 1.087852 -1.629338 1.698623
H -1.606749 -0.486102 -2.315553
H -3.086766 -1.260098 -1.699032
H -3.131227 0.425353 -2.260588
H 3.048351 -2.725984 0.760796
H 2.449113 2.489593 -1.233072
H 3.942111 1.587635 -1.522218
H 3.252901 -0.365574 -2.735123
H 1.592187 -0.951353 -2.562210
H 1.896841 0.771033 -2.987501
H -3.813764 0.613873 2.537031
H 2.797087 2.217511 1.281082
H 4.196698 3.014436 0.524632
H 4.604331 -1.208797 1.353549
H 2.058694 -3.688711 -1.137564
H -4.361836 2.670716 0.622009
H -4.581250 2.505016 -1.148086
H -6.008955 2.400832 -0.093059


