%chk=000077903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077903

0 1
 O    4.093900     -0.9358000      0.4503000    
 O    3.174000      0.9885000     -0.5084000    
 C   -4.515400      0.3174000     -0.2555000    
 C   -3.312900     -0.5274000      0.1689000    
 C   -5.832900     -0.3615000      0.1226000    
 C   -1.994800      0.1663000     -0.1789000    
 C   -7.035900      0.4984000     -0.2716000    
 C  -0.7926000     -0.6637000      0.2760000    
 C   -8.350900     -0.1682000      0.1386000    
 C   0.5266000      1.6300000E-02 -0.1030000    
 C   -9.589300      0.6372000     -0.2602000    
 C    1.746400     -0.8048000      0.3141000    
 C   -10.89570      1.4800000E-02  0.2076000    
 C    3.058700     -0.1142000      9.3000000E-03
 C    5.358000     -0.3898000      0.2159000    
 C    5.956800      0.4219000       1.179600    
 C    6.021400     -0.6555000     -0.9820000    
 C    7.218900      0.9678000      0.9453000    
 C    7.283500     -0.1097000      -1.216300    
 C    7.882200      0.7019000     -0.2525000    
 H   -4.484600      0.4846000      -1.339000    
 H   -4.459500       1.301700      0.2255000    
 H   -3.356800      -1.505200     -0.3259000    
 H   -3.356200     -0.7096000       1.249700    
 H   -5.899400      -1.337900     -0.3725000    
 H   -5.853100     -0.5452000       1.203900    
 H   -1.959700       1.153000      0.2988000    
 H   -1.942200      0.3293000      -1.262200    
 H   -6.961000       1.482300      0.2069000    
 H   -7.030700      0.6640000      -1.355600    
 H  -0.8327000     -0.8082000       1.362300    
 H  -0.8360000      -1.657700     -0.1853000    
 H   -8.412000      -1.164600     -0.3164000    
 H   -8.354600     -0.3164000       1.225800    
 H   0.5574000      0.1852000      -1.186800    
 H   0.5736000       1.006400      0.3677000    
 H   -9.513700       1.648700      0.1566000    
 H   -9.616400      0.7447000      -1.351000    
 H    1.708000     -0.9906000       1.393600    
 H    1.737400      -1.766200     -0.2116000    
 H   -11.02450     -0.9859000     -0.2166000    
 H   -10.91940     -6.8999998E-02   1.298700    
 H   -11.74440      0.6305000     -0.1059000    
 H    5.445200      0.6321000       2.114800    
 H    5.560300      -1.287200      -1.736200    
 H    7.685100       1.599700       1.695500    
 H    7.800100     -0.3167000      -2.148900    
 H    8.864900       1.126900     -0.4349000    


%chk=000077903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077903

0 1
O 4.151539 -0.618845 -0.054999
O 3.178532 1.523162 0.113831
C -4.643813 0.456043 0.025009
C -3.366618 -0.413862 0.017247
C -5.948316 -0.372513 0.022565
C -2.062070 0.414311 0.019702
C -7.226445 0.496299 0.030135
C -0.786246 -0.457428 0.010625
C -8.530827 -0.332562 0.027161
C 0.513206 0.377304 0.015817
C -9.809344 0.536556 0.035158
C 1.771701 -0.511054 0.000578
C -11.107175 -0.300145 0.031565
C 3.066629 0.283414 0.028714
C 5.536589 -0.257913 -0.046876
C 6.047401 1.059553 0.034132
C 6.397179 -1.376277 -0.131229
C 7.451632 1.234116 0.029680
C 7.793146 -1.179409 -0.134275
C 8.327407 0.128889 -0.053490
H -4.634990 1.127811 -0.858869
H -4.631548 1.117170 0.916836
H -3.379674 -1.074861 -0.874799
H -3.376185 -1.085623 0.901236
H -5.960528 -1.033779 -0.869277
H -5.957197 -1.044334 0.906507
H -2.048449 1.074476 0.911905
H -2.052829 1.086520 -0.863533
H -7.214806 1.157352 0.922150
H -7.217778 1.168358 -0.853643
H -0.798404 -1.130486 0.893756
H -0.801417 -1.116395 -0.883002
H -8.544227 -0.993425 -0.865016
H -8.541024 -1.004877 0.910772
H 0.528804 1.053285 -0.860777
H 0.536238 1.032859 0.907282
H -9.795047 1.196172 0.926925
H -9.797968 1.208268 -0.847562
H 1.778298 -1.200516 0.868395
H 1.788721 -1.163669 -0.894119
H -11.159665 -0.945121 -0.866029
H -11.155860 -0.958597 0.919539
H -12.006123 0.343575 0.038335
H 5.374092 1.914339 0.098312
H 5.959400 -2.377158 -0.192699
H 7.856720 2.250220 0.092348
H 8.460727 -2.045386 -0.199531
H 9.411709 0.282783 -0.055689


