%chk=000188977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188977

0 1
O 1.693414 -0.386954 -1.688423
O -0.122884 0.702758 -0.705837
O 2.417365 2.133282 1.517520
O 2.938847 -0.713296 1.792204
O 2.782901 2.499063 -1.709937
O 1.894549 -3.396086 -1.113645
C 2.684272 1.268811 0.407261
C 2.171786 -0.154189 0.731343
C 1.903501 1.900095 -0.767172
C 2.203722 -1.061194 -0.512924
C 1.028717 0.864080 -1.519208
C 1.363362 -2.334472 -0.318882
C -1.182365 -0.111238 -1.286811
C -2.292058 -0.134582 -0.272592
C -2.338575 0.798177 0.771253
C -3.298903 -1.104857 -0.394466
C -3.388918 0.759233 1.692930
C -4.347669 -1.134761 0.527713
C -4.394230 -0.204705 1.572284
H 3.780356 1.286999 0.216750
H 1.140635 -0.094434 1.174503
H 1.288928 2.763837 -0.397287
H 3.244420 -1.328334 -0.813312
H 0.792245 1.146280 -2.567039
H 0.300613 -2.156200 -0.584604
H 1.440479 -2.727430 0.715609
H 2.641367 1.673963 2.363175
H 3.855582 -0.921844 1.510023
H 3.373805 1.827910 -2.121273
H -0.760824 -1.123067 -1.473599
H -1.505271 0.353182 -2.236611
H 1.811567 -3.177147 -2.067676
H -1.549319 1.548123 0.860658
H -3.269060 -1.832638 -1.202424
H -3.422381 1.483626 2.505658
H -5.130581 -1.885746 0.433490
H -5.212194 -0.232543 2.289749


%chk=000188977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188977

0 1
O 1.783486 -0.431900 -1.677945
O -0.104242 0.654921 -0.588424
O 2.676337 2.154240 1.540493
O 3.171673 -0.699777 1.863459
O 2.875044 2.407582 -1.826718
O 1.519426 -3.225980 -1.416113
C 2.798140 1.253708 0.397741
C 2.318969 -0.160677 0.781486
C 1.995411 1.863208 -0.783760
C 2.306763 -1.107126 -0.435360
C 1.051543 0.830780 -1.433484
C 1.479245 -2.382428 -0.219708
C -1.254014 0.007665 -1.263787
C -2.398146 -0.101863 -0.275923
C -2.596658 0.888425 0.718117
C -3.304979 -1.186757 -0.364752
C -3.691312 0.795151 1.605805
C -4.405196 -1.274802 0.517989
C -4.601592 -0.283066 1.506267
H 3.865412 1.177263 0.076574
H 1.321589 -0.094895 1.242966
H 1.419473 2.723658 -0.413276
H 3.344278 -1.393170 -0.708847
H 0.771185 1.159509 -2.453580
H 0.438238 -2.108448 0.049809
H 1.912583 -2.985077 0.595240
H 3.020177 1.671492 2.338461
H 4.088971 -0.848089 1.510479
H 3.324657 1.646145 -2.279680
H -0.959154 -0.992244 -1.639161
H -1.536845 0.635364 -2.137131
H 1.324237 -2.634772 -2.190651
H -1.882511 1.713614 0.800360
H -3.151326 -1.968195 -1.119826
H -3.833364 1.562259 2.375319
H -5.099629 -2.118759 0.440724
H -5.450667 -0.353257 2.195237


