%chk=000047723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047723

0 1
 O   -3.668200      -1.071100       1.531200    
 O   -4.515500      0.3626000      -1.677700    
 C   -1.917300     -0.4426000      7.9099998E-02
 C   -3.393500     -0.7508000      0.1668000    
 C   -1.459100      0.8766000      0.1501000    
 C  -0.9846000      -1.480900     -1.1200000E-02
 C   0.8879000      0.1024000      2.9200001E-02
 C  -7.9499997E-02   1.135200      0.1287000    
 C   0.3968000      -1.225500     -4.1200001E-02
 C   -4.294700      0.4205000     -0.2692000    
 C    2.310600      0.3272000     -1.3000000E-03
 C   -2.415300       1.982800      0.2496000    
 C   -3.721100       1.773400      3.7000000E-02
 C    1.289900      -2.295800     -0.1370000    
 C    3.185900     -0.7859000     -0.1001000    
 C   -1.491100      -2.896700     -5.9000000E-02
 C   0.2714000       2.592400      0.2010000    
 C    2.663500      -2.079700     -0.1663000    
 C    2.916700       1.607400      6.1400000E-02
 C    4.578800     -0.6012000     -0.1317000    
 C    4.303500       1.777300      2.8600000E-02
 C    5.134900      0.6725000     -6.7900002E-02
 H   -3.665700      -1.606300     -0.4588000    
 H   -5.271100      0.3382000      0.2234000    
 H   -2.173800       2.976100      0.5931000    
 H   -4.416000       2.603500      0.1315000    
 H   0.9723000      -3.331100     -0.2164000    
 H   -2.511100      -3.041500      0.2997000    
 H   -1.433600      -3.282400      -1.082200    
 H  -0.9137000      -3.545400      0.6091000    
 H   0.7551000       2.823500       1.155600    
 H   0.8487000       2.854200     -0.6931000    
 H  -0.5039000       3.346100      0.1035000    
 H    3.323500      -2.941500     -0.2469000    
 H    2.444500       2.558100      0.1937000    
 H   -3.430500     -0.3043000       2.080100    
 H    5.248700      -1.456100     -0.2065000    
 H   -4.983100     -0.4686000      -1.867500    
 H    4.732400       2.773700      9.0999998E-02
 H    6.212900      0.7990000     -9.0700001E-02


%chk=000047723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047723

0 1
O -3.703479 -1.019543 1.762148
O -4.635173 0.334907 -1.603755
C -1.928743 -0.444728 0.131335
C -3.414956 -0.708395 0.331050
C -1.466288 0.917671 0.091372
C -1.016801 -1.507036 -0.000201
C 0.879977 0.149107 -0.029235
C -0.082584 1.223555 -0.035805
C 0.389128 -1.211682 -0.123579
C -4.367299 0.418436 -0.143063
C 2.339962 0.349339 0.053756
C -2.464742 1.998899 0.192750
C -3.809794 1.792819 0.106569
C 1.322841 -2.282744 -0.399417
C 3.227363 -0.748979 -0.258554
C -1.482954 -2.956874 0.030412
C 0.307082 2.668856 -0.337998
C 2.676913 -2.053591 -0.528717
C 2.955855 1.556331 0.520090
C 4.644404 -0.567368 -0.229289
C 4.349916 1.708019 0.572361
C 5.208939 0.651192 0.162710
H -3.719485 -1.630550 -0.191186
H -5.313217 0.273684 0.420771
H -2.101578 3.018562 0.355348
H -4.513883 2.629034 0.169536
H 0.935577 -3.294094 -0.547031
H -2.477231 -3.052050 0.490113
H -1.526908 -3.394573 -0.986323
H -0.800595 -3.583767 0.630072
H 0.415973 3.297849 0.568019
H 1.255577 2.716646 -0.894075
H -0.460944 3.142153 -0.972326
H 3.360853 -2.870905 -0.785939
H 2.338498 2.370537 0.900274
H -3.215125 -0.362509 2.322226
H 5.286310 -1.416336 -0.493548
H -5.231096 -0.442430 -1.766499
H 4.777071 2.645163 0.946260
H 6.296238 0.780693 0.188069


