%chk=000231753.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231753

0 1
O 0.802447 1.008695 0.354180
O 2.528614 0.091831 -2.279351
O 0.945896 3.262589 0.007276
C 3.561437 0.802243 -0.267854
C 2.944235 1.915096 0.317937
C -3.297661 0.322172 0.092810
C -4.743483 0.021699 0.014297
C 2.807326 -0.181442 -1.134189
C -0.590791 0.884760 0.240555
C -2.357489 -0.722415 0.014061
C -2.859838 1.646780 0.242124
C 2.505896 -1.505639 -0.518150
C 4.937365 0.600520 -0.095131
C 3.705051 2.831710 1.063260
C -0.993774 -0.451647 0.086864
C -1.495883 1.943543 0.317554
C 1.489580 2.205407 0.180800
C -5.264759 -0.644777 -1.106273
C -5.600436 0.402031 1.059496
C 5.690611 1.509561 0.652302
C 5.075353 2.625897 1.230210
C 2.340640 -1.645754 0.867374
C 2.362426 -2.620660 -1.359203
C -6.631368 -0.926016 -1.177921
C -6.965619 0.115050 0.982346
C -7.483333 -0.548149 -0.134961
C 2.046978 -2.899782 1.408874
C 2.076434 -3.873632 -0.812603
C 1.920369 -4.013113 0.570863
H -2.700363 -1.750959 -0.102454
H -3.588563 2.456892 0.292853
H 5.421401 -0.265461 -0.549372
H 3.220632 3.707749 1.502282
H -0.247673 -1.243399 0.024111
H -1.154560 2.976040 0.418961
H -4.603543 -0.933501 -1.921860
H -5.198243 0.914889 1.931501
H 6.761841 1.349869 0.782084
H 5.665876 3.337900 1.807158
H 2.421575 -0.772168 1.518245
H 2.469928 -2.496234 -2.439896
H -7.033625 -1.439676 -2.049636
H -7.627678 0.409072 1.795150
H -8.547076 -0.768997 -0.193154
H 1.914517 -3.009189 2.484304
H 1.970561 -4.739842 -1.464087
H 1.695868 -4.991047 0.996663


%chk=000231753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231753

0 1
O 0.740113 1.064916 0.384780
O 2.290237 0.208454 -2.017315
O 0.942317 3.407260 0.533539
C 3.516334 0.799011 -0.035017
C 2.926897 1.992877 0.474003
C -3.453835 0.378776 0.081908
C -4.911943 0.086228 -0.020816
C 2.759443 -0.184691 -0.908899
C -0.676999 0.943251 0.281725
C -2.494299 -0.671545 0.129637
C -2.973005 1.714585 0.135255
C 2.660504 -1.617684 -0.480527
C 4.910311 0.602175 0.126030
C 3.741656 2.976159 1.090107
C -1.119055 -0.397640 0.228150
C -1.598277 2.015554 0.236506
C 1.457467 2.269783 0.445465
C -5.382855 -1.044715 -0.744398
C -5.873402 0.930956 0.600912
C 5.714886 1.581183 0.750237
C 5.130501 2.777665 1.224939
C 2.976460 -2.033308 0.840739
C 2.195856 -2.576455 -1.422108
C -6.763071 -1.321463 -0.842569
C -7.253968 0.656681 0.502007
C -7.707111 -0.471867 -0.220118
C 2.831100 -3.387520 1.212507
C 2.058490 -3.928097 -1.051719
C 2.376119 -4.336970 0.267735
H -2.829193 -1.714267 0.119387
H -3.683217 2.545878 0.066554
H 5.370746 -0.311239 -0.266486
H 3.261645 3.887194 1.461861
H -0.379782 -1.203174 0.270102
H -1.252373 3.048725 0.270571
H -4.665351 -1.692436 -1.260928
H -5.535556 1.790741 1.190718
H 6.792359 1.413885 0.854323
H 5.749931 3.544151 1.702019
H 3.316681 -1.296837 1.576381
H 1.947257 -2.231571 -2.431552
H -7.102707 -2.193110 -1.413406
H -7.975429 1.317295 0.995938
H -8.778918 -0.685544 -0.297062
H 3.067666 -3.702555 2.234600
H 1.705430 -4.663904 -1.782400
H 2.267038 -5.388297 0.557082


