%chk=000047327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047327

0 1
 O   4.3099999E-02   2.289200       1.443200    
 O   -1.861500       3.359000     -0.2087000    
 C   0.1062000       1.982800      4.8200000E-02
 C   0.6989000      0.5889000     -7.0500001E-02
 C  -0.2059000     -0.5101000     -5.2400000E-02
 C   -1.287500       2.109400     -0.5827000    
 C   -1.616200     -0.3296000     -5.9700001E-02
 C   -2.193700      0.9491000     -0.2328000    
 C   0.3167000      -1.820200      4.1000000E-03
 C    2.113000      0.3803000     -7.3299997E-02
 C   -2.475400      -1.448300      7.8900002E-02
 C    2.600000     -0.9476000     -6.9600001E-02
 C    1.701700      -2.020500     -2.5900001E-02
 C   -3.588400       1.102600     -0.2224000    
 C  -0.5495000      -2.915100      0.1080000    
 C   -1.927800      -2.730600      0.1662000    
 C   -3.865800      -1.266500      0.1075000    
 C    3.076300       1.419100     -6.7000002E-02
 C   -4.418100      2.7000001E-03 -3.3900000E-02
 C    3.983300      -1.198100     -8.4799998E-02
 C    4.448400       1.156700     -7.9599999E-02
 C    4.902300     -0.1531000     -9.2900001E-02
 H   0.7381000       2.742000     -0.4221000    
 H   -1.189500       2.106500      -1.676800    
 H    2.091100      -3.039000      2.2000000E-03
 H   -4.042600       2.077000     -0.3812000    
 H  -0.1582000      -3.929100      0.1624000    
 H   -2.568700      -3.604500      0.2627000    
 H   -4.534200      -2.117000      0.2255000    
 H    2.777800       2.463900     -5.1600002E-02
 H   -5.496700      0.1302000     -2.4599999E-02
 H   0.9264000       2.154700       1.826600    
 H   -1.252400       4.059700     -0.4976000    
 H    4.360100      -2.219400     -8.3600000E-02
 H    5.157600       1.979200     -7.8199998E-02
 H    5.967400     -0.3631000     -0.1024000    


%chk=000047327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047327

0 1
O 0.134940 2.329021 1.460113
O -1.810904 3.373729 -0.185336
C 0.191230 1.956348 0.033768
C 0.753201 0.547034 -0.067498
C -0.145198 -0.548242 -0.094298
C -1.213382 2.081884 -0.598373
C -1.594888 -0.345567 -0.068732
C -2.153770 0.959831 -0.207700
C 0.369794 -1.905528 -0.079541
C 2.169472 0.329861 -0.054199
C -2.474917 -1.469380 0.086330
C 2.678549 -1.033967 -0.114508
C 1.761791 -2.117474 -0.116916
C -3.539443 1.158370 -0.103244
C -0.558295 -3.017180 0.011120
C -1.916893 -2.808724 0.119102
C -3.880685 -1.248204 0.181687
C 3.125977 1.402500 0.037713
C -4.405078 0.051213 0.111898
C 4.099219 -1.258233 -0.136153
C 4.496712 1.150567 0.021744
C 4.992434 -0.192276 -0.077658
H 0.851605 2.676494 -0.499137
H -1.088095 2.064738 -1.704904
H 2.149011 -3.144208 -0.123577
H -3.936409 2.173361 -0.192015
H -0.147534 -4.033619 0.019023
H -2.605908 -3.655610 0.219150
H -4.546888 -2.109652 0.309216
H 2.770891 2.430576 0.152208
H -5.484345 0.215264 0.201739
H -0.595682 3.005069 1.533325
H -1.415610 4.103063 -0.727027
H 4.466074 -2.290163 -0.190253
H 5.206349 1.981935 0.096915
H 6.072975 -0.371628 -0.092783


