%chk=000116722.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116722

0 1
 O   -2.023800      0.4959000      0.3302000    
 O    2.031000      0.4907000     -0.3360000    
 O   -2.699300      -1.701600      0.1023000    
 O    2.709400      -1.703400     -8.6400002E-02
 C  -0.4091000      -1.172400      0.6374000    
 C   0.4241000      -1.183500     -0.6511000    
 C  -0.3299000      -2.472200       1.442800    
 C   0.3395000      -2.490900      -1.444700    
 C  -0.5081000      -3.721100      0.5852000    
 C   0.4728000      -3.739900     -0.5787000    
 C   -1.843700     -0.8556000      0.3246000    
 C    1.854200     -0.8612000     -0.3240000    
 C   -3.354000      0.9400000      4.4799998E-02
 C    3.356600      0.9402000     -3.8100000E-02
 C   -3.412700       2.469600      8.3999999E-02
 C    3.411900       2.469600     -8.6300001E-02
 C   -4.846000       2.953200     -0.1259000    
 C   -2.483600       3.090000     -0.9616000    
 C    2.469300       3.094100      0.9446000    
 C    4.841400       2.958300      0.1369000    
 H  -5.4200001E-02 -0.3770000       1.309000    
 H   7.4500002E-02 -0.3928000      -1.330900    
 H   0.6502000      -2.524000       1.934400    
 H   -1.078300      -2.475700       2.244900    
 H  -0.6318000      -2.527600      -1.955000    
 H    1.102800      -2.514400      -2.232300    
 H  -0.3423000      -4.608300       1.208000    
 H   -1.532000      -3.804100      0.2080000    
 H   0.2852000      -4.626800      -1.195400    
 H    1.494300      -3.843800     -0.1984000    
 H   -4.034600      0.5236000      0.7973000    
 H   -3.652900      0.5725000     -0.9447000    
 H    4.046900      0.5208000     -0.7802000    
 H    3.645000      0.5797000      0.9570000    
 H   -3.067500       2.806200       1.069900    
 H    3.077200       2.799100      -1.078200    
 H   -5.230400       2.646400      -1.104700    
 H   -5.510600       2.545000      0.6427000    
 H   -4.900500       4.045500     -6.7900002E-02
 H   -2.756500       2.771400      -1.973400    
 H   -2.535200       4.183400     -0.9257000    
 H   -1.441700       2.803000     -0.7853000    
 H    1.430200       2.803200      0.7582000    
 H    2.731300       2.782700       1.961500    
 H    2.518500       4.187400      0.9024000    
 H    5.215400       2.658700       1.121900    
 H    5.515800       2.546900     -0.6214000    
 H    4.893800       4.050300      7.2800003E-02


%chk=000116722-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116722

0 1
O -2.224114 0.804550 0.034082
O 2.224446 0.796281 -0.028598
O -2.415743 -0.634352 1.848116
O 2.410640 -0.634874 -1.849327
C -0.206212 -0.338301 0.753155
C 0.201793 -0.333474 -0.754215
C 0.261387 -1.632605 1.466113
C -0.273082 -1.619290 -1.477697
C -0.221942 -2.906732 0.733077
C 0.202042 -2.902257 -0.754897
C -1.709475 -0.117997 0.951033
C 1.706146 -0.119560 -0.950227
C -3.666770 1.161718 0.187369
C 3.668534 1.148335 -0.180312
C -4.053912 2.057507 -0.997245
C 4.057021 2.044898 1.003217
C -5.495649 2.580080 -0.786446
C -3.915097 1.309622 -2.342463
C 3.912507 1.300338 2.349654
C 5.501327 2.560990 0.793915
H 0.282005 0.533960 1.233055
H -0.281554 0.545334 -1.227048
H 1.369092 -1.623156 1.507028
H -0.109133 -1.629974 2.506603
H -1.380695 -1.602897 -1.519026
H 0.097932 -1.610522 -2.517975
H 0.183233 -3.802410 1.241533
H -1.325456 -2.969262 0.809411
H -0.209037 -3.791224 -1.270348
H 1.305111 -2.971478 -0.831757
H -3.790503 1.678572 1.157317
H -4.261241 0.228692 0.212565
H 3.795635 1.662743 -1.151131
H 4.259866 0.213220 -0.202760
H -3.361954 2.923863 -1.002051
H 3.368713 2.914172 1.004887
H -6.219723 1.743470 -0.752115
H -5.590495 3.152884 0.154997
H -5.790996 3.244163 -1.618441
H -4.615119 0.452763 -2.388855
H -4.146158 1.980693 -3.189696
H -2.889871 0.923122 -2.477899
H 2.884870 0.920241 2.484837
H 4.607300 0.439340 2.398184
H 4.146827 1.971634 3.195801
H 6.221895 1.721265 0.761844
H 5.600004 3.132040 -0.148198
H 5.798208 3.224974 1.625431


