%chk=000147394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147394

0 1
 O   -3.760800     -0.1033000     -0.5480000    
 O   -3.028900      0.7319000       1.504000    
 O   -6.754600      -2.263000       1.251800    
 O   -5.951500      -2.895500      -1.452100    
 O   -4.442500      -1.334000       2.823900    
 O   -3.065800     -0.3394000      -3.197100    
 O    1.583000      0.3620000      0.4573000    
 O  -0.8116000       4.517900     -0.3133000    
 O    1.739900       4.272400     -0.7737000    
 O    7.062800      -2.616900     -0.1879000    
 O    6.364700      -1.009600       1.969000    
 C   -5.437500      -2.044700      0.7436000    
 C   -5.553000      -1.723100     -0.7465000    
 C   -4.780900     -0.8953000       1.508500    
 C   -4.214500      -1.229600      -1.300900    
 C   -3.501400     -0.4261000      0.8162000    
 C   -4.333500     -0.7916000      -2.757200    
 C   -1.888100       1.304100       1.023700    
 C    2.545300      0.7853000     -0.5213000    
 C    2.937100       2.246200     -0.3082000    
 C   0.4597000       1.147800      0.4758000    
 C   0.4435000       2.479300      5.0000001E-02
 C  -0.7051000      0.5660000      0.9782000    
 C    1.703000       3.105200     -0.4025000    
 C   -1.906700       2.626000      0.5777000    
 C  -0.7404000       3.219800      9.3400002E-02
 C    3.753200     -0.1230000     -0.4290000    
 C    4.515100     -0.1522000      0.7385000    
 C    4.103100     -0.9290000      -1.511900    
 C    5.628300     -0.9886000      0.8233000    
 C    5.216200      -1.765300      -1.427100    
 C    5.978700      -1.795200     -0.2596000    
 C    6.843200      -3.938500      0.3014000    
 H   -4.885500      -2.979200      0.9027000    
 H   -6.334500     -0.9682000     -0.8969000    
 H   -5.486100     -6.3500002E-02   1.623100    
 H   -3.450000      -2.016600      -1.245100    
 H   -2.742200      -1.217100      0.8739000    
 H   -5.041000      3.6499999E-02  -2.870200    
 H   -4.648900      -1.615500      -3.403700    
 H   -7.148600      -2.988300      0.7373000    
 H   -5.260400      -3.568700      -1.330500    
 H   -3.817500      -2.074600       2.743700    
 H    2.085400      0.6669000      -1.513700    
 H    3.650900       2.565400      -1.075900    
 H    3.374100       2.428000      0.6800000    
 H  -0.6765000     -0.4592000       1.337900    
 H   -2.837000       3.187900      0.6187000    
 H   -2.792500      0.3868000      -2.610700    
 H    4.240100      0.4648000       1.590100    
 H    3.519300     -0.9168000      -2.428200    
 H    5.483700      -2.390600      -2.274600    
 H   -1.720600       4.844200     -0.1989000    
 H    5.974900     -0.3892000       2.608500    
 H    6.452600      -3.911500       1.323600    
 H    7.801200      -4.465400      0.3069000    
 H    6.150400      -4.478700     -0.3516000    


%chk=000147394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147394

0 1
O -3.472253 -0.659509 -0.813978
O -3.377395 1.359645 0.365936
O -6.915701 -1.704836 1.317181
O -5.664423 -3.728853 -0.415412
O -5.133472 0.282938 2.383100
O -2.026719 -2.429398 -2.545673
O 1.397269 0.668793 -0.123623
O -0.446961 5.147305 0.662317
O 2.257691 4.714084 0.588933
O 6.846613 -2.710070 -0.743868
O 4.876667 -2.784261 1.382888
C -5.499418 -1.678675 0.948156
C -5.256911 -2.308318 -0.433159
C -5.078484 -0.199464 1.007064
C -3.781248 -2.112896 -0.839859
C -3.630710 -0.043409 0.520316
C -3.454893 -2.561747 -2.267460
C -2.045647 1.813190 0.332726
C 2.693038 1.279337 -0.566454
C 3.046771 2.422864 0.398725
C 0.351139 1.567242 0.109310
C 0.565143 2.972164 0.313195
C -0.930742 0.978284 0.119960
C 1.948517 3.498682 0.430714
C -1.899649 3.206230 0.500323
C -0.611829 3.776764 0.484441
C 3.726552 0.176438 -0.621533
C 3.779054 -0.818549 0.381527
C 4.701646 0.170971 -1.646046
C 4.787327 -1.805532 0.370966
C 5.706090 -0.817995 -1.662142
C 5.765660 -1.820985 -0.667876
C 6.598687 -4.149815 -0.515386
H -4.899686 -2.242239 1.703399
H -5.924779 -1.850928 -1.183500
H -5.743050 0.387776 0.340332
H -3.109628 -2.642831 -0.122977
H -2.914991 -0.503530 1.237710
H -4.067793 -1.970979 -2.980123
H -3.691240 -3.630454 -2.390531
H -7.265941 -2.613827 1.127445
H -5.032560 -4.241531 0.154622
H -6.053538 0.119033 2.716090
H 2.524040 1.693146 -1.582580
H 3.997247 2.899890 0.106376
H 3.181030 2.010728 1.419032
H -1.024507 -0.088214 -0.092032
H -2.796625 3.814610 0.656868
H -1.784995 -1.472617 -2.443951
H 3.012350 -0.826411 1.167224
H 4.674272 0.930172 -2.436004
H 6.466778 -0.844231 -2.448136
H -1.326848 5.584301 0.799372
H 4.173615 -2.638059 2.063509
H 6.265833 -4.337384 0.517304
H 7.568925 -4.631910 -0.708754
H 5.841984 -4.527727 -1.229604


