%chk=000197669.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197669

0 1
O 4.727273 -2.611486 0.141831
O 3.884451 0.443008 -1.767239
O 0.558103 -1.038148 -0.676020
O -0.377453 -2.391070 0.885910
O -10.031303 0.058436 0.964671
O -9.108421 1.392279 -0.579354
C 2.807381 -0.919809 0.513209
C 4.152957 -1.299977 -0.144053
C 2.713170 0.649655 0.463324
C 3.909064 -0.977943 -1.628598
C 1.858504 -1.674268 -0.494327
C 5.494553 -1.415479 0.502071
C 2.526218 -1.612855 -1.881986
C 2.829902 1.137343 -1.018033
C 2.633851 -1.488237 1.913029
C 3.871302 1.281717 1.277690
C 1.370974 1.137442 1.026968
C 3.232750 2.573449 -1.174587
C 3.850549 2.815627 1.230991
C 3.700193 3.334048 -0.174450
C -0.506343 -1.516349 0.059425
C 4.090122 4.764271 -0.376662
C -1.724168 -0.786242 -0.346383
C -2.905678 -1.051649 0.231665
C -4.138766 -0.356459 -0.139011
C -5.319876 -0.633597 0.441506
C -6.552430 0.061870 0.070958
C -7.735796 -0.209293 0.643822
C -8.951304 0.515746 0.240862
H 4.706421 -1.290933 -2.325465
H 1.686455 -2.718305 -0.149041
H 6.402783 -1.271980 -0.079644
H 5.612636 -1.271780 1.573751
H 1.929326 -1.009768 -2.592205
H 2.618548 -2.616438 -2.328926
H 1.876170 0.929234 -1.558069
H 3.073684 -2.495749 1.984458
H 3.114604 -0.869408 2.678440
H 1.570973 -1.586125 2.179341
H 4.840410 0.944411 0.859267
H 3.832913 0.933756 2.325848
H 0.525321 0.800589 0.417677
H 1.209326 0.783355 2.049669
H 1.322024 2.233043 1.047366
H 3.153222 2.944582 -2.194667
H 4.781049 3.207994 1.688519
H 3.022282 3.211276 1.855540
H 3.766921 5.156478 -1.350296
H 5.183328 4.878413 -0.335503
H 3.662454 5.419072 0.393362
H -1.585295 -0.041721 -1.134265
H -2.983816 -1.816801 1.018250
H -4.049608 0.406453 -0.919966
H -5.409265 -1.397441 1.221559
H -6.472686 0.831750 -0.710844
H -7.877372 -0.962650 1.423970
H -10.876186 0.524761 0.720644


%chk=000197669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197669

0 1
O 4.444971 -2.836640 0.148438
O 4.029905 0.430969 -1.761902
O 0.462363 -0.818818 -0.566862
O -0.600763 -2.522504 0.660604
O -10.388967 -0.338832 0.814196
O -9.329434 1.325352 -0.428927
C 2.811350 -0.829592 0.564179
C 4.086743 -1.379279 -0.113170
C 2.896108 0.767244 0.489162
C 3.897463 -1.031634 -1.588947
C 1.778711 -1.498598 -0.442931
C 5.383114 -1.709368 0.525189
C 2.458430 -1.540566 -1.843865
C 2.987970 1.213487 -1.006854
C 2.579258 -1.356465 1.993472
C 4.187800 1.296435 1.189625
C 1.647904 1.413535 1.148952
C 3.379350 2.661076 -1.189721
C 4.279806 2.838991 1.148201
C 3.975241 3.416127 -0.226575
C -0.659520 -1.452660 0.002457
C 4.349335 4.866706 -0.450938
C -1.876018 -0.673456 -0.299120
C -3.106917 -1.081190 0.156898
C -4.342045 -0.375561 -0.103584
C -5.571008 -0.800167 0.364657
C -6.806255 -0.095871 0.101292
C -8.036683 -0.504462 0.558276
C -9.252436 0.267077 0.246859
H 4.659842 -1.467872 -2.252488
H 1.579751 -2.516863 -0.063679
H 6.303783 -1.659954 -0.070830
H 5.508953 -1.570154 1.606187
H 1.926823 -0.908451 -2.574504
H 2.478412 -2.572264 -2.232704
H 2.006413 1.031650 -1.492298
H 2.802326 -2.437499 2.030517
H 3.217733 -0.849379 2.738425
H 1.528003 -1.218699 2.298164
H 5.071390 0.891175 0.664962
H 4.232012 0.953098 2.240273
H 0.716965 1.015717 0.719578
H 1.638332 1.221538 2.236919
H 1.647504 2.506225 0.996559
H 3.186701 3.091076 -2.181044
H 5.298118 3.152598 1.456685
H 3.594351 3.296501 1.892764
H 4.049311 5.219707 -1.452630
H 5.443152 5.011976 -0.349591
H 3.872855 5.524156 0.303631
H -1.751256 0.233337 -0.901040
H -3.149068 -2.003591 0.754358
H -4.289855 0.542715 -0.706952
H -5.623651 -1.718171 0.968117
H -6.764492 0.822878 -0.501890
H -8.162244 -1.408036 1.164044
H -11.191535 0.203347 0.585406


