%chk=000194946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194946

0 1
O -5.386448 2.372242 -0.907187
O 6.184011 -2.663262 -1.542699
O 6.375420 -2.080088 0.607460
C -4.069753 -0.939818 0.387916
C -4.756631 0.051239 -0.556153
C -4.388876 -2.390592 0.002782
C -4.502226 1.513010 -0.145966
C -3.692254 -3.386094 0.941234
C -4.006257 -4.831761 0.563104
C -3.132540 2.000533 -0.529306
C -2.052902 1.849281 0.247587
C -0.725475 2.323747 -0.148162
C 1.716869 2.674042 0.239772
C 0.357759 2.170135 0.626301
C 4.839866 0.352990 0.080799
C 2.793922 1.687062 0.584619
C 3.743162 1.310752 -0.276994
C 4.859095 -0.836330 -0.887648
C 5.861294 -1.864617 -0.463524
H -2.972902 -0.778899 0.363614
H -4.383133 -0.751133 1.432819
H -5.846978 -0.137474 -0.581681
H -4.410010 -0.105839 -1.597411
H -5.482794 -2.557832 0.024532
H -4.077409 -2.581074 -1.042617
H -4.722912 1.678534 0.933118
H -4.002192 -3.198294 1.987855
H -2.596716 -3.223508 0.916282
H -5.081104 -5.039212 0.614903
H -3.503980 -5.535181 1.236792
H -3.677102 -5.063375 -0.456384
H -3.103479 2.502837 -1.500011
H -6.318010 2.151468 -0.729646
H -2.116257 1.357757 1.221368
H -0.665309 2.818385 -1.120452
H 1.914160 3.629039 0.782592
H 1.750807 2.945583 -0.836986
H 4.739705 -0.017997 1.124522
H 5.816995 0.882706 0.055644
H 0.306823 1.674104 1.596367
H 2.753300 1.300316 1.604119
H 3.780798 1.690344 -1.298264
H 3.852067 -1.311598 -0.936786
H 5.066669 -0.502938 -1.928540
H 6.836828 -3.375890 -1.313085


%chk=000194946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194946

0 1
O -5.358571 2.457825 -0.433937
O 5.376299 -3.243172 -0.705367
O 6.758941 -1.703482 0.346843
C -3.947760 -1.084354 0.301927
C -4.819844 0.028523 -0.319518
C -4.410596 -2.505217 -0.091327
C -4.398085 1.460129 0.105252
C -3.533893 -3.620633 0.522621
C -4.001914 -5.038767 0.130279
C -3.049935 1.858342 -0.436873
C -1.943442 2.091457 0.327802
C -0.630499 2.451766 -0.206649
C 1.841087 3.069260 0.028402
C 0.472617 2.690956 0.563087
C 4.811846 0.430330 0.022360
C 2.920512 2.083412 0.452113
C 3.732339 1.405429 -0.399028
C 4.566831 -0.979852 -0.564071
C 5.684725 -1.952191 -0.242604
H -2.894011 -0.938377 -0.007881
H -3.961721 -0.989998 1.408614
H -5.878254 -0.130687 -0.015302
H -4.792048 -0.036033 -1.425628
H -5.464447 -2.653409 0.225926
H -4.403112 -2.601884 -1.197300
H -4.387234 1.512844 1.217046
H -3.538301 -3.520806 1.627424
H -2.482389 -3.474288 0.201970
H -5.039770 -5.221313 0.467761
H -3.358632 -5.817202 0.580255
H -3.978410 -5.174133 -0.967604
H -3.000040 1.954744 -1.531619
H -6.278610 2.138056 -0.243718
H -2.026024 2.011553 1.423207
H -0.546844 2.535021 -1.301132
H 2.110624 4.076889 0.415448
H 1.811298 3.147941 -1.074552
H 4.865683 0.369214 1.124578
H 5.805571 0.783464 -0.317273
H 0.386076 2.602949 1.658086
H 3.031292 1.923776 1.536624
H 3.615526 1.562768 -1.484012
H 3.615270 -1.404453 -0.193134
H 4.463901 -0.936757 -1.666576
H 6.129850 -3.856341 -0.485920


