%chk=000297679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297679

0 1
O -1.071801 0.427566 1.566060
O -0.230083 -0.834245 -0.165111
O -0.592833 2.433360 2.467184
O -0.397015 -2.632622 1.242565
O 2.815035 -0.554629 2.200442
C -1.415691 -0.146991 0.262115
C -1.514556 1.061715 -0.664999
C -2.633824 -1.017163 0.388190
C -1.210874 2.224627 0.082004
C -0.902780 1.832014 1.482836
C -1.828465 1.141269 -2.008014
C -1.225276 3.479928 -0.500107
C -3.073415 -1.752451 -0.723463
C -3.327417 -1.092687 1.602671
C -1.846535 2.419272 -2.605398
C -1.552838 3.565488 -1.868153
C 0.226421 -2.012848 0.432792
C 1.544351 -2.313270 -0.201311
C -4.217623 -2.545425 -0.620903
C -4.472872 -1.889378 1.698684
C -4.919364 -2.612095 0.589086
C 2.682126 -1.540033 0.056877
C 1.620111 -3.424183 -1.055173
C 3.901484 -1.880099 -0.544613
C 2.658712 -0.370076 1.014945
C 2.837722 -3.756114 -1.652496
C 3.977063 -2.983977 -1.397519
C 2.493981 0.985661 0.420565
C 2.186843 1.172146 -0.935413
C 2.650736 2.100285 1.261724
C 2.063004 2.464952 -1.450033
C 2.524498 3.391081 0.743530
C 2.236830 3.573046 -0.612987
H -2.054916 0.252261 -2.593855
H -0.989954 4.372733 0.080070
H -2.517952 -1.712484 -1.659093
H -2.958803 -0.540794 2.472886
H -2.096547 2.504907 -3.663979
H -1.576031 4.543001 -2.350102
H -4.561934 -3.117141 -1.480683
H -5.010222 -1.950850 2.644306
H -5.810652 -3.233545 0.666400
H 0.732325 -4.030083 -1.243451
H 4.792887 -1.285290 -0.339652
H 2.901108 -4.620571 -2.313197
H 4.928041 -3.247249 -1.861625
H 2.031647 0.309899 -1.586734
H 2.863979 1.943900 2.324560
H 1.827446 2.609401 -2.502540
H 2.645911 4.252374 1.399203
H 2.145913 4.579905 -1.018795


%chk=000297679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297679

0 1
O -1.636898 -0.234599 2.208287
O -0.297176 -0.813628 0.290146
O -1.418122 1.411589 3.863752
O -0.610510 -2.893478 1.349467
O 1.977293 0.502132 1.609791
C -1.621783 -0.288987 0.734586
C -1.606071 1.180071 0.302936
C -2.774915 -1.130380 0.206971
C -1.492413 1.988476 1.449997
C -1.484651 1.131163 2.661204
C -1.660496 1.750156 -0.978040
C -1.427714 3.392018 1.367117
C -2.735502 -1.600797 -1.129112
C -3.908831 -1.387289 1.010366
C -1.594789 3.161958 -1.076348
C -1.479650 3.975662 0.081092
C 0.125342 -2.081678 0.757902
C 1.550055 -2.331359 0.369585
C -3.826653 -2.322356 -1.657068
C -4.999809 -2.108635 0.477829
C -4.965025 -2.574706 -0.856336
C 2.496178 -1.299852 0.097506
C 1.929320 -3.691160 0.237250
C 3.796595 -1.664627 -0.334523
C 2.249543 0.162517 0.421054
C 3.231337 -4.039607 -0.174527
C 4.166056 -3.021020 -0.469261
C 2.422299 1.185781 -0.662305
C 2.479251 0.831862 -2.036920
C 2.491633 2.556302 -0.292215
C 2.607358 1.833251 -3.023815
C 2.627655 3.553415 -1.276880
C 2.686378 3.194349 -2.646377
H -1.754230 1.131530 -1.875312
H -1.343737 3.997174 2.275298
H -1.843096 -1.428790 -1.742167
H -3.917507 -1.047264 2.049738
H -1.633630 3.634573 -2.063774
H -1.434800 5.064609 -0.027162
H -3.787278 -2.692386 -2.687616
H -5.872333 -2.314312 1.107539
H -5.811758 -3.137053 -1.265423
H 1.183014 -4.459763 0.463254
H 4.532450 -0.878762 -0.537301
H 3.513144 -5.093422 -0.268793
H 5.180705 -3.278796 -0.791524
H 2.409875 -0.220642 -2.331687
H 2.433098 2.807967 0.772296
H 2.646259 1.555684 -4.082975
H 2.689265 4.607331 -0.984155
H 2.793175 3.970275 -3.413050


