%chk=000179786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179786

0 1
O -2.227818 -0.863927 0.117033
O 2.387699 -0.095338 0.230800
O 0.372455 -1.713946 0.618902
C -3.658767 -0.434608 0.126426
C -1.234652 0.057527 0.033796
C -1.470804 1.424371 -0.258647
C -3.862521 0.993792 -0.291083
C -4.282443 -1.420751 -0.858643
C -4.094063 -0.666282 1.571372
C 4.720084 -0.225732 0.408404
C -2.847990 1.853442 -0.454758
C 0.081786 -0.425800 0.208715
C 1.161195 0.480848 0.073603
C 3.567835 0.773109 0.190998
C -0.378307 2.296838 -0.356195
C 0.927815 1.844085 -0.191805
C 5.074334 -0.940160 -0.897752
C 5.931373 0.504500 0.994023
C -0.041948 -2.740193 -0.324189
H -4.900763 1.280291 -0.436002
H -3.961808 -1.209013 -1.886538
H -3.971844 -2.449175 -0.631631
H -5.375760 -1.384525 -0.829675
H -5.179245 -0.597223 1.687781
H -3.773271 -1.656608 1.921945
H -3.633391 0.068225 2.245054
H 4.360733 -0.993851 1.145346
H -3.010604 2.891614 -0.745310
H 3.482794 1.509800 1.006174
H 3.607565 1.277777 -0.786316
H -0.555354 3.352192 -0.568885
H 1.752819 2.541734 -0.276370
H 5.821846 -1.723454 -0.732579
H 5.476894 -0.254328 -1.649699
H 4.184340 -1.420770 -1.326760
H 6.767332 -0.188929 1.147314
H 5.703729 0.954258 1.966847
H 6.291175 1.299542 0.332034
H -1.131317 -2.717148 -0.443173
H 0.287070 -3.653835 0.181095
H 0.471296 -2.603150 -1.277751


%chk=000179786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179786

0 1
O -2.300538 -0.940022 -0.254085
O 2.405060 -0.174805 0.307749
O 0.312475 -1.880061 0.276493
C -3.701333 -0.458799 0.074634
C -1.253975 -0.011034 -0.140213
C -1.492357 1.388245 -0.300513
C -3.909673 0.955617 -0.451939
C -4.611290 -1.481423 -0.623731
C -3.853362 -0.507343 1.613462
C 4.811804 -0.155091 0.615071
C -2.863535 1.820767 -0.577532
C 0.053429 -0.517988 0.053866
C 1.147824 0.401352 0.113230
C 3.570052 0.724184 0.399306
C -0.390964 2.271439 -0.234820
C 0.917993 1.795374 -0.022488
C 5.030448 -1.117270 -0.573669
C 6.045849 0.746468 0.854247
C -0.000905 -2.787420 -0.846988
H -4.938677 1.255467 -0.681726
H -4.467371 -1.446270 -1.716767
H -4.379726 -2.500442 -0.268779
H -5.670795 -1.263700 -0.398261
H -4.871522 -0.193197 1.907752
H -3.675205 -1.533509 1.981000
H -3.130584 0.173515 2.095417
H 4.628793 -0.759646 1.525636
H -3.025128 2.854121 -0.907570
H 3.430323 1.425817 1.248252
H 3.665621 1.310569 -0.540391
H -0.563718 3.347299 -0.355856
H 1.749467 2.503008 0.023042
H 5.894399 -1.780832 -0.385995
H 5.232733 -0.551691 -1.504513
H 4.136485 -1.742918 -0.735620
H 6.945174 0.129281 1.029730
H 5.910404 1.404902 1.733118
H 6.247029 1.386798 -0.026622
H -1.077539 -2.754959 -1.088502
H 0.283456 -3.790189 -0.492740
H 0.598879 -2.520414 -1.738785


