%chk=000159007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159007

0 1
 O  -0.3223000     -0.7972000      0.5472000    
 O    3.788600      0.1080000      0.7994000    
 O   -2.849600       1.939600      -1.072100    
 C   -1.327300      -1.208800     -0.3843000    
 C   -2.556800     -0.3046000     -0.2881000    
 C    1.454900      0.7481000      0.9320000    
 C   6.4099997E-02  0.5268000      0.4124000    
 C    2.514700     -9.8099999E-02  0.1904000    
 C  -0.7085000       1.489500     -0.1351000    
 C   -2.095900       1.112200     -0.5616000    
 C   -1.640200      -2.675000     -0.1080000    
 C   -3.277800     -0.3382000       1.057400    
 C    1.486300      0.4832000       2.439900    
 C    2.590100      0.2191000      -1.311000    
 C  -0.3476000       2.935500     -0.3047000    
 C  -0.4141000      -3.526800     -0.1787000    
 C    3.641300     -0.6133000      -2.035000    
 H  -0.8980000      -1.136500      -1.394900    
 H   -3.260300     -0.5837000      -1.082500    
 H    1.761300       1.793100      0.8304000    
 H    2.287800      -1.164300      0.3138000    
 H   -2.387800      -3.036200     -0.8234000    
 H   -2.062700      -2.794900      0.8961000    
 H   -4.062300      0.4262000       1.095500    
 H   -3.758400      -1.306600       1.225400    
 H   -2.596100     -0.1442000       1.892300    
 H    2.446900      0.7801000       2.874500    
 H    1.332400     -0.5774000       2.668900    
 H   0.7079000       1.056200       2.957200    
 H    2.840100       1.277800      -1.450900    
 H    1.620800      4.3699998E-02  -1.789900    
 H   0.7136000       3.152300     -0.1778000    
 H  -0.9061000       3.548300      0.4105000    
 H  -0.6033000       3.272500      -1.315700    
 H   7.9899997E-02  -3.436000      -1.151800    
 H   0.3136000      -3.266900      0.5970000    
 H  -0.6754000      -4.581000     -3.7799999E-02
 H    3.638500     -0.3769000      -3.103800    
 H    4.645400     -0.4113000      -1.649500    
 H    3.436800      -1.682800      -1.923100    
 H    4.027000       1.043000      0.6781000    


%chk=000159007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159007

0 1
O -0.253757 -0.814235 0.437576
O 3.861991 0.270014 0.938515
O -2.939772 1.948914 -1.146106
C -1.397550 -1.274321 -0.422485
C -2.586136 -0.308000 -0.271505
C 1.428317 0.804568 0.978336
C 0.079614 0.536916 0.340488
C 2.571038 -0.000662 0.271079
C -0.745109 1.484560 -0.248463
C -2.124276 1.118834 -0.629981
C -1.659806 -2.736263 -0.046028
C -3.227687 -0.300476 1.141186
C 1.386615 0.475207 2.495462
C 2.670992 0.273818 -1.244740
C -0.323249 2.931402 -0.437691
C -0.477828 -3.669228 -0.383186
C 3.719728 -0.613856 -1.946552
H -1.021857 -1.210135 -1.468918
H -3.359473 -0.591517 -1.010823
H 1.651043 1.882192 0.855153
H 2.409206 -1.078010 0.451978
H -2.569431 -3.065265 -0.586874
H -1.889068 -2.792551 1.034223
H -4.001973 0.484108 1.191752
H -3.708968 -1.268435 1.367039
H -2.473758 -0.098159 1.923010
H 2.393243 0.605235 2.926663
H 1.071877 -0.570568 2.655260
H 0.678151 1.136769 3.025309
H 2.916192 1.347638 -1.398459
H 1.677219 0.116342 -1.706991
H 0.591563 3.024439 -1.051370
H -0.140351 3.446308 0.524312
H -1.140225 3.463165 -0.953790
H -0.259076 -3.661497 -1.467765
H 0.433980 -3.351511 0.151357
H -0.701595 -4.710801 -0.091297
H 3.821379 -0.344671 -3.013481
H 4.707821 -0.510908 -1.464507
H 3.431578 -1.680223 -1.891106
H 4.140898 1.195363 0.712121


