%chk=000104845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104845

0 1
 O  -0.1968000      -2.531200     -0.5490000    
 O   -5.203900     -0.1006000       1.716000    
 O    5.506100     -0.1432000     -0.6930000    
 C   3.0999999E-02   1.035600     -0.2640000    
 C    1.429100       1.070500      0.3685000    
 C  -0.7064000     -0.2561000      0.2129000    
 C    2.295800     -0.1489000     -2.0800000E-02
 C   -2.171800     -0.3433000     -0.3468000    
 C   -2.909300      0.9696000      8.5199997E-02
 C  -0.7684000       2.298100      8.5600004E-02
 C    3.606300      0.2384000      0.6977000    
 C    2.338000       2.260200      7.4800000E-02
 C    1.616400      -1.408000      0.5196000    
 C   -2.206200       2.234200     -0.4208000    
 C   0.1935000      -1.491500     -2.1500001E-02
 C   -2.944300      -1.531500      0.2976000    
 C    3.742300       1.754300      0.4470000    
 C   -4.400200      0.9754000     -0.2943000    
 C   -2.164000     -0.5155000      -1.887200    
 C    2.517200     -0.3013000      -1.549100    
 C   -4.442700      -1.546900     -3.4299999E-02
 C   -5.135600     -0.2286000      0.2958000    
 C    4.818400     -0.5214000      0.2542000    
 C    5.155400      -1.768400       1.025900    
 H   0.1434000       1.014800      -1.353000    
 H    1.283200       1.058700       1.461900    
 H  -0.7936000     -0.1999000       1.309600    
 H   -2.870200       1.018600       1.184700    
 H  -0.2833000       3.183000     -0.3427000    
 H  -0.7784000       2.440700       1.173900    
 H    3.499600      9.4400004E-02   1.782100    
 H    2.064700       3.141700      0.6638000    
 H    2.299900       2.543600     -0.9828000    
 H    1.559000      -1.406000       1.614000    
 H    2.158800      -2.310300      0.2181000    
 H   -2.741400       3.124100     -6.7100003E-02
 H   -2.222000       2.279600      -1.515500    
 H   -2.827000      -1.493100       1.388600    
 H   -2.527500      -2.492200     -2.0400001E-02
 H    4.450600       2.013800     -0.3468000    
 H    4.096900       2.250300       1.358300    
 H   -4.858000       1.897300      8.6300001E-02
 H   -4.520900      0.9902000      -1.383000    
 H   -1.604700      0.2730000      -2.396600    
 H   -1.716100      -1.468800      -2.183200    
 H   -3.171200     -0.5046000      -2.312600    
 H    3.012700      0.5682000      -1.991500    
 H    3.139100      -1.177500      -1.766100    
 H    1.579700     -0.4500000      -2.093600    
 H   -4.583800      -1.780400      -1.095500    
 H   -4.910500      -2.360500      0.5337000    
 H   -6.166100     -0.2546000     -7.5099997E-02
 H    5.281700      -1.525800       2.083900    
 H    4.369000      -2.514200      0.9004000    
 H    6.095000      -2.185200      0.6518000    
 H   -5.668100      0.7307000       1.913500    


%chk=000104845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104845

0 1
O -0.177662 -2.489893 -0.726443
O -5.178457 -0.206358 1.801835
O 5.628051 -0.205954 -0.643960
C 0.032273 1.079656 -0.300465
C 1.440140 1.111033 0.331149
C -0.721399 -0.231760 0.151051
C 2.312832 -0.137755 -0.019578
C -2.190606 -0.329681 -0.395301
C -2.936711 0.973189 0.078738
C -0.787636 2.332860 0.092796
C 3.654900 0.264297 0.720632
C 2.371453 2.310016 0.030692
C 1.585118 -1.394714 0.530727
C -2.245965 2.265260 -0.405636
C 0.174503 -1.468018 -0.077008
C -2.922180 -1.538754 0.274948
C 3.796688 1.794194 0.425041
C -4.440045 0.949521 -0.279826
C -2.198478 -0.483741 -1.941720
C 2.551730 -0.303504 -1.543112
C -4.436740 -1.587835 -0.033874
C -5.160490 -0.278233 0.318211
C 4.876908 -0.560702 0.305805
C 5.150108 -1.836085 1.094071
H 0.132745 1.070047 -1.404861
H 1.292339 1.082968 1.436811
H -0.798919 -0.146972 1.262997
H -2.879262 0.965976 1.191203
H -0.286548 3.236142 -0.305804
H -0.786123 2.427095 1.200226
H 3.479867 0.095388 1.803303
H 2.085817 3.212394 0.598715
H 2.329120 2.574997 -1.042874
H 1.502464 -1.319857 1.635277
H 2.106194 -2.334468 0.275637
H -2.807545 3.146640 -0.034767
H -2.271444 2.321840 -1.512665
H -2.797550 -1.461979 1.373990
H -2.452737 -2.482927 -0.049125
H 4.525140 1.940452 -0.391007
H 4.188800 2.321120 1.313079
H -4.921283 1.880416 0.089311
H -4.576971 0.947065 -1.379623
H -1.662637 0.338654 -2.448590
H -1.715297 -1.433451 -2.225017
H -3.227274 -0.494856 -2.342356
H 3.104174 0.550496 -1.969068
H 3.148653 -1.210226 -1.747223
H 1.600063 -0.413564 -2.092049
H -4.605878 -1.803411 -1.106642
H -4.906636 -2.410154 0.536921
H -6.208547 -0.315776 -0.052243
H 5.509394 -1.571568 2.108391
H 4.227312 -2.429439 1.228285
H 5.919838 -2.442373 0.591692
H -5.635205 0.631789 2.068401


