%chk=000169737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169737

0 1
 O   -3.081200      0.7491000      4.9899999E-02
 O   -2.135700      -1.313600      0.5933000    
 O   -6.872500     -0.6498000      0.7814000    
 O   -6.505300       1.777500     -0.7446000    
 O   -4.667400      -2.535100      0.2674000    
 O    4.284800       1.922100       1.535300    
 O   -2.529900       3.182000      -1.104900    
 C    5.756500      0.9780000     -0.1798000    
 C    5.490400     -0.2381000      -1.112700    
 C    4.130100     -0.7194000     -0.7146000    
 C    3.561100      3.6200002E-02  0.3015000    
 C    4.494800       1.088100      0.6718000    
 C   -5.720000     -0.3827000     -1.9099999E-02
 C   -5.474900       1.126300     -6.0999999E-03
 C   -4.520200      -1.143000      0.5462000    
 C   -4.117300       1.461400     -0.6284000    
 C   -3.211900     -0.6643000     -8.2999997E-02
 C    2.308800     -0.2275000      0.8254000    
 C    1.605200      -1.307000      0.2920000    
 C    6.962400      0.7277000      0.7274000    
 C    5.942200       2.265100     -0.9853000    
 C    3.432000      -1.792200      -1.246100    
 C    2.162400      -2.084500     -0.7369000    
 C   0.2441000      -1.642200      0.8174000    
 C  -0.8753000     -0.9207000      6.5200001E-02
 C   -3.798800       2.949300     -0.5212000    
 C    1.724500      0.6003000       1.918700    
 C    1.411200      -3.242900      -1.310100    
 H    6.228100      -1.034800     -0.9666000    
 H    5.490600      4.9899999E-02  -2.169900    
 H   -5.957500     -0.7339000      -1.030800    
 H   -5.527700       1.495200       1.025500    
 H   -4.485100      -1.040200       1.637400    
 H   -4.091500       1.184700      -1.691300    
 H   -3.167900     -0.9461000      -1.143900    
 H    7.125600       1.568900       1.410800    
 H    6.816400     -0.1656000       1.345600    
 H    7.876100      0.5879000      0.1395000    
 H    6.093200       3.127300     -0.3257000    
 H    6.809500       2.192500      -1.650400    
 H    5.060300       2.480300      -1.599600    
 H    3.871800      -2.387300      -2.040700    
 H   0.1625000      -1.459500       1.895800    
 H   5.8899999E-02  -2.722700      0.7719000    
 H  -0.8406000      -1.162500      -1.003100    
 H  -0.7450000      0.1627000      0.1658000    
 H   -3.750700       3.274700      0.5233000    
 H   -4.537400       3.560700      -1.047400    
 H   0.6376000      0.5475000       2.002400    
 H    2.156600      0.3097000       2.881600    
 H    1.919000       1.663900       1.748100    
 H    1.941000      -3.677000      -2.166000    
 H    1.303700      -4.039600     -0.5670000    
 H   0.4265000      -2.942500      -1.678300    
 H   -7.612200     -0.1428000      0.4051000    
 H   -6.461700       1.461900      -1.663400    
 H   -4.701400      -2.647500     -0.6979000    
 H   -1.883000       2.630400     -0.6325000    


%chk=000169737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169737

0 1
O -3.291380 0.912687 0.176606
O -2.135696 -1.103365 0.490447
O -6.913981 -1.179766 0.142169
O -6.925792 1.661528 -0.594184
O -4.471385 -2.591584 -0.377261
O 4.580984 2.117059 1.357999
O -2.982234 3.660213 -0.511958
C 5.983886 0.876988 -0.272006
C 5.688264 -0.442338 -1.052763
C 4.279169 -0.848447 -0.647459
C 3.713232 0.054072 0.290928
C 4.700695 1.130151 0.575454
C -5.733107 -0.486930 -0.379948
C -5.736188 1.004416 -0.009010
C -4.515068 -1.241367 0.181108
C -4.409067 1.650258 -0.457453
C -3.215554 -0.527690 -0.222802
C 2.397270 -0.133785 0.808183
C 1.653910 -1.262352 0.351330
C 7.195651 0.742597 0.687514
C 6.193967 2.088924 -1.219055
C 3.541455 -1.960771 -1.084123
C 2.229989 -2.178658 -0.591391
C 0.228848 -1.485269 0.845436
C -0.798653 -0.776865 -0.054823
C -4.237075 3.104538 -0.007370
C 1.821886 0.832607 1.831092
C 1.466515 -3.406508 -1.060570
H 6.417412 -1.234522 -0.795612
H 5.760601 -0.291342 -2.146791
H -5.708892 -0.570471 -1.493847
H -5.874221 1.128260 1.079094
H -4.580191 -1.260119 1.288426
H -4.309177 1.591826 -1.568243
H -3.066275 -0.576039 -1.328615
H 7.283959 1.649104 1.312124
H 7.084031 -0.127946 1.360174
H 8.131140 0.616617 0.111299
H 6.264484 3.020727 -0.630389
H 7.126897 1.965458 -1.799810
H 5.354653 2.195471 -1.931085
H 3.972442 -2.667307 -1.803317
H 0.099828 -1.104379 1.872857
H -0.025569 -2.558828 0.869085
H -0.734570 -1.140337 -1.102132
H -0.649161 0.319782 -0.048600
H -4.283186 3.146311 1.101257
H -5.039436 3.733341 -0.424448
H 0.822513 1.199797 1.534154
H 1.699512 0.336314 2.813825
H 2.490942 1.694494 1.970392
H 2.023429 -3.938121 -1.850202
H 1.301989 -4.120263 -0.230392
H 0.468445 -3.154572 -1.463182
H -7.708506 -0.619063 -0.056702
H -6.818341 1.702519 -1.580913
H -5.346234 -3.015962 -0.179010
H -2.253259 3.065204 -0.197089


