%chk=000072972.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072972

0 1
 O    2.294400     -0.3232000      0.6264000    
 O   -3.864900      -1.035700     -0.1886000    
 O   -3.834600       1.230200     -0.3669000    
 C    3.151500      0.1631000     -0.4055000    
 C   0.9537000     -0.2042000      0.4253000    
 C    4.021400       1.279900      0.1510000    
 C    3.985200     -0.9879000     -0.9480000    
 C   0.3848000       1.056100      0.2422000    
 C   0.1481000      -1.342600      0.4043000    
 C   -1.795200      3.9600000E-02  1.6899999E-02
 C  -0.9897000       1.178100      3.8100000E-02
 C   -1.226400      -1.220800      0.2000000    
 C   -3.228500      0.1676000     -0.1953000    
 H    2.571300      0.5675000      -1.246200    
 H    4.696600       1.676400     -0.6135000    
 H    3.406500       2.102000      0.5308000    
 H    4.621400      0.9221000      0.9952000    
 H    4.658200     -0.6535000      -1.743300    
 H    3.336300      -1.774700      -1.347400    
 H    4.582500      -1.446700     -0.1524000    
 H   0.9951000       1.954300      0.2656000    
 H   0.5865000      -2.326800      0.5462000    
 H   -1.413700       2.169200     -0.1002000    
 H   -1.816300      -2.133000      0.1911000    
 H   -4.830400     -0.9387000     -0.3331000    


%chk=000072972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072972

0 1
O 2.275278 -0.838720 -0.192659
O -4.059568 -0.758810 0.599608
O -3.845240 1.418338 -0.180747
C 3.306425 0.157431 -0.620611
C 0.932621 -0.470030 -0.127607
C 3.625175 1.114632 0.540515
C 4.508772 -0.687154 -1.052098
C 0.412522 0.800520 -0.501309
C 0.054695 -1.487477 0.337028
C -1.853074 0.023339 0.051486
C -0.971636 1.033667 -0.411118
C -1.322751 -1.243019 0.425567
C -3.297490 0.328868 0.127409
H 2.909430 0.715159 -1.493431
H 4.388192 1.850017 0.226269
H 2.731855 1.667490 0.877789
H 4.023368 0.545784 1.398975
H 5.326930 -0.033680 -1.404365
H 4.229517 -1.374212 -1.868581
H 4.879039 -1.287880 -0.203152
H 1.067207 1.599143 -0.860100
H 0.482314 -2.454966 0.615932
H -1.392504 2.003697 -0.696169
H -2.002871 -2.021650 0.781229
H -5.014405 -0.482188 0.622840


