%chk=000040634.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040634

0 1
 O    1.145100       1.064700      0.5327000    
 O   -3.905900     -0.9838000     -0.3602000    
 O    3.865000     -0.6209000      -1.066400    
 O    2.125100      0.5834000      -1.913700    
 C    2.288900      0.2083000      0.4769000    
 C    2.034400      -1.166000       1.102900    
 C   0.8501000      -1.857300      0.4382000    
 C  -0.2893000     -0.8966000      0.2715000    
 C  -7.7900000E-02  0.4859000      0.3182000    
 C   -1.581800      -1.382700      3.2299999E-02
 C   -1.151800       1.367000      0.1624000    
 C    3.414800      0.9236000       1.226400    
 C   -2.436000      0.8734000     -6.2899999E-02
 C   -2.650600     -0.5010000     -0.1316000    
 C    2.720400      9.7599998E-02 -0.9635000    
 C   -1.840200      -2.855100     -5.8400001E-02
 C  -0.9245000       2.845400      0.2299000    
 C   -3.586000       1.814100     -0.2347000    
 H    1.798700      -1.032200       2.168100    
 H    2.916500      -1.815000       1.050600    
 H   0.5679000      -2.703600       1.074600    
 H    1.143500      -2.244700     -0.5446000    
 H    4.332700      0.3281000       1.275600    
 H    3.657800       1.881500      0.7503000    
 H    3.106000       1.158600       2.251900    
 H   -2.204600      -3.234100      0.9017000    
 H   -2.573100      -3.088100     -0.8391000    
 H  -0.9547000      -3.429500     -0.3443000    
 H   2.9600000E-02   3.113500      0.6941000    
 H  -0.9367000       3.273000     -0.7781000    
 H   -1.690500       3.337400      0.8385000    
 H   -3.342500       2.606100     -0.9510000    
 H   -4.482500       1.323200     -0.6266000    
 H   -3.852600       2.264700      0.7270000    
 H   -3.994100      -1.881100     -1.0000000E-03
 H    4.161600     -0.7061000      -1.997500    


%chk=000040634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040634

0 1
O 1.168368 1.074276 0.655276
O -3.969750 -0.953437 -0.409235
O 3.764339 -0.847869 -1.134049
O 2.169889 0.634639 -1.943747
C 2.358030 0.222620 0.526191
C 2.091970 -1.143994 1.197571
C 0.900299 -1.861988 0.532033
C -0.282402 -0.923363 0.303461
C -0.099810 0.481211 0.375752
C -1.582826 -1.425210 0.019862
C -1.167957 1.400327 0.207320
C 3.492342 1.008898 1.210644
C -2.470570 0.898029 -0.047654
C -2.651072 -0.504709 -0.139577
C 2.696280 0.057952 -0.975481
C -1.868787 -2.913086 -0.128760
C -0.921259 2.894318 0.292666
C -3.645752 1.837379 -0.235706
H 1.867395 -0.936940 2.260888
H 2.999384 -1.768514 1.147467
H 0.597081 -2.709624 1.174252
H 1.227778 -2.307922 -0.430411
H 4.446153 0.462624 1.127543
H 3.603213 2.004513 0.748465
H 3.240902 1.147591 2.275844
H -2.530734 -3.295548 0.676085
H -2.353409 -3.139205 -1.101124
H -0.949624 -3.516799 -0.097297
H 0.153088 3.108554 0.382263
H -1.308657 3.412424 -0.604544
H -1.437771 3.337186 1.166714
H -3.512027 2.470159 -1.134570
H -4.582293 1.272572 -0.351395
H -3.752238 2.524309 0.625112
H -4.003214 -1.941134 -0.421175
H 3.996439 -0.908539 -2.100483


