%chk=000198168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198168

0 1
O -5.288527 -1.785988 0.565085
O 3.929887 -2.993176 -0.757025
O -5.927630 -1.973606 -1.622666
O 4.092386 -4.146951 1.211034
C -1.235554 2.982395 0.397767
C -1.156029 3.913133 -0.820475
C -0.064591 2.032043 0.337398
C 0.140583 4.733570 -0.819475
C 1.237151 2.734039 0.337163
C 1.336493 4.011967 -0.257300
C -0.227365 0.696283 0.228060
C 2.370881 2.174137 0.948734
C 2.578577 4.665986 -0.289668
C -1.565824 0.056976 0.273669
C 0.871932 -0.272994 0.022862
C 3.598027 2.838799 0.923721
C 3.704972 4.080611 0.290655
C -2.239678 -0.077720 1.501388
C 1.682049 -0.182653 -1.125774
C -2.150400 -0.431709 -0.904061
C 1.088891 -1.303516 0.950148
C -3.489377 -0.689876 1.554914
C 2.700836 -1.105517 -1.344348
C -3.404455 -1.048058 -0.874131
C 2.108519 -2.239083 0.752956
C -4.049557 -1.166140 0.357828
C 2.894526 -2.121932 -0.393722
C -6.157072 -2.157894 -0.457349
C 4.466005 -3.964090 0.083253
C -7.342019 -2.783381 0.190894
C 5.530078 -4.662171 -0.689254
H -2.208756 2.454358 0.409134
H -1.197744 3.566851 1.339336
H -2.030451 4.589941 -0.837964
H -1.218599 3.308637 -1.747552
H -0.012460 5.660649 -0.224317
H 0.360044 5.074999 -1.852342
H 2.294902 1.209544 1.453329
H 2.664900 5.641342 -0.764429
H 4.468870 2.388539 1.395559
H 4.663556 4.595293 0.257333
H -1.779867 0.300156 2.414422
H 1.512964 0.622121 -1.842192
H -1.620909 -0.332696 -1.852330
H 0.454532 -1.379587 1.834026
H -4.028446 -0.807953 2.492041
H 3.338542 -1.054732 -2.223861
H -3.863212 -1.421685 -1.792634
H 2.281489 -3.035255 1.480663
H -7.261739 -2.806783 1.290714
H -7.472611 -3.821131 -0.156757
H -8.262020 -2.234175 -0.066725
H 5.642954 -4.264058 -1.711651
H 5.307814 -5.738410 -0.771894
H 6.504232 -4.567249 -0.182988


%chk=000198168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198168

0 1
O -5.475663 -1.638855 0.734130
O 4.039440 -2.932683 -0.960645
O -5.610162 -3.208290 -1.020635
O 3.764272 -4.648649 0.633027
C -1.245295 3.094470 -0.022598
C -0.876213 4.012353 -1.219281
C -0.089166 2.123926 0.200309
C 0.349955 4.881920 -0.879011
C 1.223359 2.808340 0.398974
C 1.434861 4.129067 -0.111936
C -0.260814 0.746847 0.135151
C 2.252848 2.219455 1.192826
C 2.670315 4.779699 0.130284
C -1.616972 0.120254 0.241978
C 0.867258 -0.215090 -0.094528
C 3.469624 2.881608 1.433936
C 3.690896 4.168604 0.886202
C -2.533325 0.515162 1.259294
C 1.831603 0.013040 -1.116983
C -2.016960 -0.927020 -0.631871
C 0.966466 -1.420101 0.651138
C -3.794993 -0.093155 1.380520
C 2.860889 -0.911579 -1.362254
C -3.281461 -1.546654 -0.536387
C 1.996442 -2.360270 0.429280
C -4.167988 -1.116417 0.479884
C 2.944191 -2.090512 -0.586038
C -6.110145 -2.646408 -0.024349
C 4.377430 -4.151209 -0.334297
C -7.478854 -2.930346 0.555972
C 5.587739 -4.752167 -1.016294
H -2.181266 2.556973 -0.240677
H -1.419782 3.727294 0.871906
H -1.736847 4.656563 -1.480483
H -0.664936 3.376675 -2.101032
H 0.021507 5.739337 -0.254653
H 0.778031 5.324440 -1.799578
H 2.081033 1.235038 1.637352
H 2.826046 5.786769 -0.277979
H 4.238818 2.402671 2.049723
H 4.638458 4.690784 1.060041
H -2.236902 1.289568 1.975003
H 1.765397 0.923149 -1.721284
H -1.325927 -1.262214 -1.412861
H 0.224950 -1.628562 1.430260
H -4.495588 0.200368 2.167913
H 3.601114 -0.743013 -2.150074
H -3.569646 -2.337788 -1.228601
H 2.061997 -3.272119 1.022786
H -7.683558 -2.302215 1.433842
H -7.539888 -3.996316 0.836645
H -8.245654 -2.752255 -0.218088
H 5.939360 -4.121089 -1.844115
H 5.329523 -5.756360 -1.395431
H 6.395881 -4.880838 -0.275212


