%chk=000186090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186090

0 1
O 3.143569 -0.392736 -0.680062
O -3.340391 0.549066 0.863652
O 1.419501 -1.605055 0.265737
O 4.679976 0.964719 0.208032
O -4.973081 -0.845243 0.243747
C 0.769667 0.298476 -1.031144
C 0.912932 1.201206 0.230853
C -0.081018 2.389299 0.302136
C -0.630631 -0.337101 -1.208537
C -1.362365 -0.644466 0.103698
C -1.868101 0.635441 0.832369
C -1.552786 1.958392 0.143968
C 1.812331 -0.858542 -0.886179
C 2.365393 1.711546 0.322802
C 1.117682 1.053299 -2.324578
C 3.347603 0.543122 0.410318
C 0.084760 3.151717 1.625522
C -2.612899 -1.454235 -0.134097
C -3.791090 -0.637699 0.300491
C -2.711759 -2.688164 -0.617448
C 2.212001 -2.801611 0.526950
C 1.739484 -3.268545 1.889986
H 0.735702 0.543274 1.123152
H 0.153874 3.092313 -0.536341
H -0.535790 -1.273236 -1.795476
H -1.265863 0.327920 -1.832241
H -0.661246 -1.212304 0.774747
H -1.583803 0.642573 1.905082
H -2.228875 2.739221 0.554768
H -1.822063 1.901531 -0.930658
H 1.920968 -1.504550 -1.779605
H 2.611619 2.358639 -0.540234
H 2.495081 2.360577 1.213685
H 0.530953 1.973940 -2.418398
H 2.178802 1.335492 -2.350819
H 0.926383 0.450236 -3.218886
H 3.350434 -0.006736 1.371219
H 1.114091 3.503436 1.768369
H -0.563840 4.034900 1.658234
H -0.171232 2.530387 2.490798
H -1.856573 -3.280436 -0.917447
H -3.664854 -3.193538 -0.744521
H 4.871243 1.084510 -0.749504
H 1.998215 -3.529872 -0.273395
H 3.281930 -2.524511 0.513500
H 2.262229 -4.180072 2.202054
H 1.912865 -2.500657 2.655796
H 0.661675 -3.477824 1.890503


%chk=000186090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186090

0 1
O 3.224225 -0.318788 -0.755222
O -3.523033 0.785310 0.313896
O 1.510724 -1.654842 0.279193
O 4.779576 0.973349 0.436598
O -5.070021 -0.887328 -0.172007
C 0.778646 0.297796 -0.996397
C 0.936591 1.254011 0.246477
C -0.042149 2.474062 0.296017
C -0.619575 -0.416645 -1.091225
C -1.431956 -0.500320 0.227296
C -2.054800 0.873384 0.651919
C -1.515611 2.119780 -0.058497
C 1.855388 -0.826315 -0.869602
C 2.411406 1.734772 0.358091
C 1.038276 1.031393 -2.340646
C 3.403891 0.566380 0.427596
C 0.010511 3.180023 1.678403
C -2.650751 -1.398114 0.083213
C -3.891174 -0.554355 0.051180
C -2.701541 -2.748857 -0.023734
C 2.310799 -2.899717 0.371602
C 1.847914 -3.649929 1.618483
H 0.738452 0.634134 1.145492
H 0.294540 3.211178 -0.463372
H -0.459927 -1.451374 -1.450062
H -1.236767 0.075796 -1.865632
H -0.763250 -0.886896 1.014102
H -2.014291 0.992248 1.750458
H -2.163347 2.973689 0.215017
H -1.634897 1.982042 -1.147611
H 1.889017 -1.439436 -1.795569
H 2.671987 2.377822 -0.507004
H 2.553081 2.340133 1.270450
H 0.363894 1.898584 -2.454571
H 2.079973 1.382871 -2.429314
H 0.846666 0.350883 -3.191786
H 3.271636 -0.026744 1.349923
H 1.008330 3.594318 1.903301
H -0.706221 4.020788 1.707920
H -0.254419 2.484071 2.497201
H -1.796418 -3.366243 0.002456
H -3.667969 -3.253295 -0.137115
H 4.978038 1.455121 -0.407463
H 2.143606 -3.500044 -0.548660
H 3.385324 -2.638658 0.424206
H 2.410720 -4.594905 1.725853
H 2.015725 -3.041879 2.524304
H 0.771884 -3.891154 1.557440


