%chk=000155327.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155327

0 1
 O    1.450800       1.551900      -1.538200    
 O    3.585600     -5.4000001E-02 -0.7952000    
 O    1.307700      -2.287600      0.1770000    
 O   0.1279000       3.098900       1.300000    
 O   -2.969600     -0.3460000      0.2668000    
 O   0.5489000      -4.447100     -0.1287000    
 O   -3.890500       1.428100     -0.8914000    
 C    1.082000       1.465000     -0.1470000    
 C    2.976900      3.8199998E-02  0.4930000    
 C    2.369900       2.143100     -0.6180000    
 C    1.455400      0.1486000      0.5483000    
 C    3.544400       1.256200     -0.2085000    
 C  -0.1780000       2.209900      0.2138000    
 C   0.7353000      -1.007600     -0.1354000    
 C    3.724600     -0.6258000       1.580800    
 C  -0.7151000      -1.148500      0.3071000    
 C   -1.305600       1.291700      0.7322000    
 C   -1.629800      2.1600001E-02 -8.3700001E-02
 C  -0.7217000       3.077700     -0.9338000    
 C  -0.9299000      -2.524800     -0.2380000    
 C   0.3607000      -3.245900     -7.7399999E-02
 C   -1.979000      -3.104300     -0.8245000    
 C   -3.917500      0.5953000      4.6000001E-03
 C   -5.033600      0.4653000      0.9962000    
 H    2.460000       3.217900     -0.5789000    
 H    1.181000      0.2048000       1.609000    
 H    4.461400       1.700800      0.1490000    
 H   0.8097000     -0.8924000      -1.227500    
 H    4.805600     -0.6087000       1.403500    
 H    3.537100     -0.1247000       2.535900    
 H    3.423000      -1.672200       1.683100    
 H  -0.7647000      -1.268500       1.401000    
 H   -2.181900       1.928500      0.9029000    
 H   -1.062900      0.9812000       1.760300    
 H   -1.584600      0.2024000      -1.164300    
 H   -1.009300       2.476200      -1.801900    
 H   -1.595400       3.654300     -0.6084000    
 H   2.0600000E-02   3.815200      -1.260200    
 H   0.7573000       3.766200      0.9777000    
 H   -2.913000      -2.575700     -0.9713000    
 H   -1.934200      -4.127900      -1.182400    
 H   -4.651700      0.6267000       2.007400    
 H   -5.492800     -0.5227000      0.9105000    
 H   -5.794500       1.222600      0.7868000    


%chk=000155327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155327

0 1
O 1.144782 1.442444 -1.607961
O 3.358903 -0.148409 -1.217568
O 1.305923 -2.305005 0.375749
O 0.413626 2.898282 1.787739
O -3.007884 -0.216250 0.368437
O 0.448160 -4.478103 0.281349
O -3.664233 1.446447 -1.133353
C 1.093295 1.504167 -0.090393
C 3.083539 0.064272 0.260236
C 2.258551 2.107841 -0.831042
C 1.572345 0.185894 0.577080
C 3.476804 1.230783 -0.612164
C -0.075024 2.301953 0.508364
C 0.735157 -0.963854 0.016259
C 3.999131 -0.667350 1.211057
C -0.723896 -1.056521 0.545705
C -1.250910 1.400060 0.980116
C -1.574852 0.150264 0.115262
C -0.576296 3.400111 -0.446214
C -1.054225 -2.491040 0.153091
C 0.245611 -3.253803 0.258329
C -2.212884 -3.107304 -0.180909
C -3.967118 0.535468 -0.330513
C -5.362606 0.082961 0.035109
H 2.374136 3.178666 -1.027123
H 1.445185 0.276928 1.672729
H 4.481875 1.663547 -0.629112
H 0.757924 -0.896153 -1.087117
H 5.033431 -0.661141 0.827432
H 3.988841 -0.194963 2.211169
H 3.671346 -1.715711 1.316168
H -0.667494 -1.045161 1.656655
H -2.147329 2.040545 1.026622
H -1.031158 1.074668 2.013413
H -1.472915 0.366371 -0.965908
H -1.093681 2.961492 -1.314888
H -1.291958 4.041723 0.097105
H 0.246257 4.032597 -0.828082
H 1.000424 3.668085 1.569118
H -3.160495 -2.566270 -0.223746
H -2.204238 -4.179808 -0.409144
H -5.545130 0.250827 1.110994
H -5.480444 -0.998762 -0.150539
H -6.099977 0.643114 -0.557314


