%chk=000019845.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019845

0 1
 O    2.887500       1.724800      0.5703000    
 O    1.239900      -2.710700     -0.1681000    
 O   -2.785000      0.1234000      0.1688000    
 O    3.352800     -0.9960000      0.3444000    
 O   -2.111200       2.157600     -0.6719000    
 C  -0.4957000      0.5053000     -8.4600002E-02
 C    1.859000      0.8682000      0.3169000    
 C    1.027400      -1.369600     -5.4800000E-02
 C  -0.2652000     -0.8656000     -0.1986000    
 C   0.5663000       1.372200      0.1731000    
 C    2.089500     -0.5029000      0.2029000    
 C   -1.843700       1.030900     -0.2342000    
 C   -4.155500      0.5250000      6.8200000E-02
 C   -5.037300     -0.6042000      0.5570000    
 C    3.570500       2.268800     -0.5573000    
 C   0.1007000      -3.527100     -0.4321000    
 H   -1.115000      -1.502400     -0.4171000    
 H   0.3958000       2.442200      0.2677000    
 H   -4.318900       1.417000      0.6828000    
 H   -4.391000      0.7550000     -0.9767000    
 H   -6.094200     -0.3309000      0.4934000    
 H   -4.869300      -1.508700     -3.6899999E-02
 H   -4.799000     -0.8572000       1.595400    
 H    3.319300      -1.962100      0.2332000    
 H    2.884700       2.860500      -1.171800    
 H    4.020500       1.471600      -1.157400    
 H    4.366700       2.923500     -0.1925000    
 H  -0.3464000      -3.295000      -1.404800    
 H  -0.6272000      -3.483100      0.3853000    
 H   0.4532000      -4.562600     -0.4856000    


%chk=000019845-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019845

0 1
O 2.765681 2.065071 0.189929
O 1.386318 -2.562862 -0.243697
O -2.983278 0.116389 0.146423
O 3.340659 -0.818732 -0.093680
O -2.324517 2.347364 0.317092
C -0.633991 0.597336 0.100932
C 1.780049 1.079044 0.061904
C 0.944736 -1.226054 -0.120795
C -0.385477 -0.795994 -0.040522
C 0.438670 1.516242 0.145211
C 2.038010 -0.311927 -0.059803
C -2.016412 1.134260 0.199128
C -4.400725 0.572084 0.242527
C -5.271801 -0.678997 0.183198
C 3.977280 1.972671 -0.653048
C 0.366408 -3.613272 -0.271528
H -1.229041 -1.487446 -0.079668
H 0.235584 2.585610 0.248781
H -4.524645 1.130123 1.188299
H -4.601280 1.267943 -0.592333
H -6.338045 -0.395860 0.251737
H -5.118057 -1.222721 -0.764864
H -5.039878 -1.360687 1.019542
H 3.273170 -1.810773 -0.161660
H 3.700574 1.961018 -1.724714
H 4.566490 1.074775 -0.410123
H 4.543292 2.887771 -0.422772
H -0.301151 -3.488788 -1.144816
H -0.230186 -3.606416 0.660107
H 0.920762 -4.559273 -0.355787


