%chk=000158276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158276

0 1
 O    1.750500      -1.843800      -1.695900    
 O   -1.083800     -0.7278000     -5.0700001E-02
 O  -9.5899999E-02 -3.1599998E-02  -2.885200    
 O   -2.088400      -1.913400       1.647300    
 O   -4.022400      -1.921900      -1.129700    
 O   -6.661800       1.983800     -0.4463000    
 C    2.219900      -1.218500      0.6992000    
 C    3.305000     -0.2070000       1.029900    
 C    1.405900     -0.9602000     -0.6008000    
 C    2.868600       1.239000      0.7714000    
 C   0.8856000      -1.148600       1.487700    
 C   0.1543000      -1.456600      0.1676000    
 C    4.532000     -0.3984000      0.1286000    
 C    5.217500      0.9827000      5.0099999E-02
 C    4.210600       1.976700      0.6746000    
 C    1.345200      0.4463000      -1.077400    
 C    2.689200      -2.699100      0.7205000    
 C    2.011200       1.430100     -0.4558000    
 C    5.521100       1.351300      -1.409000    
 C    6.531100      0.9845000      0.8445000    
 C   0.5444000      0.7983000      -2.253300    
 C   -2.113900      -1.068000      0.7665000    
 C   -3.316100     -0.2571000      0.4486000    
 C   -3.509800      0.9485000       1.096100    
 C   -4.212000     -0.7331000     -0.4903000    
 C   -4.641000       1.706300      0.7935000    
 C   -5.343200      2.4700001E-02 -0.7928000    
 C   -2.545700       1.468600       2.112400    
 C   -5.557800       1.244400     -0.1511000    
 H    3.616100     -0.3123000       2.078000    
 H    2.299100       1.630000       1.623600    
 H   0.6446000     -0.1651000       1.907900    
 H   0.7537000      -1.889100       2.283200    
 H  -3.7400000E-02  -2.529200      2.4700001E-02
 H    5.195500      -1.170900      0.5348000    
 H    4.240500     -0.7378000     -0.8729000    
 H    4.139200       2.914900      0.1121000    
 H    4.526800       2.247200       1.690900    
 H    1.882000      -3.426500      0.5874000    
 H    3.443400      -2.895300     -4.8799999E-02
 H    3.152400      -2.920600       1.689600    
 H    1.920300       2.453600     -0.8141000    
 H    1.442600      -2.733200      -1.457200    
 H    4.608900       1.380500      -2.014500    
 H    5.994400       2.337200      -1.476100    
 H    6.199900      0.6223000      -1.865600    
 H    6.992400       1.978400      0.8410000    
 H    6.364400      0.6966000       1.888600    
 H    7.251800      0.2782000      0.4174000    
 H   0.5456000       1.861300      -2.547100    
 H   -4.818600       2.658600       1.287400    
 H   -6.054200     -0.3405000      -1.529900    
 H   -2.876200       2.422300       2.538100    
 H   -2.443500      0.7618000       2.942500    
 H   -1.564000       1.637500       1.657700    
 H   -3.198700      -2.340900     -0.8322000    
 H   -7.184800       1.514700      -1.118900    


%chk=000158276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158276

0 1
O 1.554833 -2.422303 -0.426997
O -0.877154 -0.220834 0.984781
O -0.282305 -1.274730 -2.168496
O -2.249992 -1.941009 1.769061
O -1.758286 1.813274 -0.151752
O -6.520966 2.438946 -0.565768
C 2.509563 -0.835495 1.318680
C 3.620592 0.160891 0.924243
C 1.426878 -1.117425 0.193411
C 3.114764 1.449650 0.209174
C 1.352723 -0.269758 2.235140
C 0.327885 -0.990864 1.322100
C 4.664227 -0.408129 -0.082332
C 5.317306 0.817766 -0.818698
C 4.410410 2.041305 -0.421613
C 1.306443 -0.007095 -0.844311
C 3.095994 -2.139737 1.894312
C 2.045485 1.146100 -0.810602
C 5.312801 0.597629 -2.353242
C 6.771973 1.050304 -0.335345
C 0.339820 -0.190882 -1.945385
C -2.180745 -0.819578 1.219678
C -3.273339 0.051243 0.754252
C -4.645792 -0.363126 0.947577
C -3.025123 1.312696 0.092412
C -5.688926 0.462112 0.495327
C -4.091204 2.121166 -0.356499
C -5.021671 -1.668897 1.623921
C -5.413817 1.691468 -0.151752
H 4.143235 0.472180 1.852872
H 2.689912 2.181026 0.930123
H 1.251761 0.827302 2.173093
H 1.365484 -0.577485 3.292353
H 0.017345 -1.982637 1.689731
H 5.426154 -1.026272 0.424243
H 4.149863 -1.063156 -0.810680
H 4.198751 2.697763 -1.286602
H 4.924376 2.658750 0.339016
H 2.302643 -2.824805 2.239184
H 3.678680 -2.682123 1.132675
H 3.753936 -1.908926 2.753888
H 1.858030 1.912409 -1.581034
H 0.816762 -2.496394 -1.100940
H 4.281490 0.483278 -2.737018
H 5.783640 1.448661 -2.881687
H 5.871261 -0.319171 -2.620922
H 7.191996 1.979643 -0.765818
H 6.817295 1.137277 0.767019
H 7.428065 0.211688 -0.635676
H 0.187176 0.691201 -2.611518
H -6.732174 0.166269 0.632489
H -3.848433 3.067192 -0.852214
H -6.118903 -1.767712 1.671864
H -4.606768 -2.538301 1.085034
H -4.611291 -1.733320 2.646703
H -1.087162 1.158703 0.242569
H -6.239003 3.276073 -1.012224


