%chk=000042011.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042011

0 1
 O   -4.043500      0.3027000      -1.142900    
 C   0.4253000       1.141400      0.1142000    
 C   -2.839500     -0.9790000      0.5025000    
 C  -0.6410000      9.8300003E-02 -5.2400000E-02
 C   -1.771100      6.4499997E-02  0.6697000    
 C    1.746700      0.5271000      0.4743000    
 C    4.166400      8.2000000E-03  7.1500003E-02
 C    2.843200      0.6127000     -0.2936000    
 C   -4.175500     -0.3610000      0.1075000    
 C    4.289000      -1.414800     -0.4507000    
 H   0.1535000       1.860700      0.8961000    
 H   0.5004000       1.709700     -0.8208000    
 H   -2.953900      -1.520200       1.448300    
 H   -2.538100      -1.710100     -0.2576000    
 H  -0.4786000     -0.6536000     -0.8216000    
 H   -1.938300      0.8173000       1.436200    
 H    4.969600      0.6296000     -0.3404000    
 H    4.298100      8.1000002E-03   1.160100    
 H    1.804800      2.9000000E-03   1.425600    
 H    2.790600       1.131500      -1.247400    
 H   -4.947000      -1.131700      1.2900000E-02
 H   -4.512000      0.3704000      0.8494000    
 H    3.520600      -2.065200     -1.9200001E-02
 H    4.189700      -1.446300      -1.541000    
 H    5.267600      -1.829800     -0.1887000    
 H   -3.766500     -0.3598000      -1.798700    


%chk=000042011-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042011

0 1
O -4.325459 0.251991 -1.196055
C 0.406065 1.043531 -0.025450
C -3.008722 -0.873659 0.638329
C -0.716820 0.018465 -0.032110
C -1.887534 0.142935 0.644961
C 1.720850 0.465000 0.475842
C 4.194168 -0.135508 0.254770
C 2.881092 0.443957 -0.231430
C -4.365570 -0.299793 0.163759
C 4.732650 -1.251927 -0.677156
H 0.101946 1.901209 0.608593
H 0.558355 1.439722 -1.050305
H -3.165254 -1.272066 1.663926
H -2.727781 -1.739575 0.003643
H -0.532400 -0.888404 -0.630012
H -2.063549 1.052637 1.241565
H 4.954098 0.671525 0.315064
H 4.069527 -0.530861 1.281234
H 1.699032 0.030041 1.487318
H 2.889583 0.871468 -1.248228
H -5.145182 -1.088593 0.243077
H -4.667437 0.551956 0.797867
H 4.024997 -2.099159 -0.724552
H 4.875390 -0.873313 -1.706720
H 5.706355 -1.633636 -0.318460
H -3.847899 -0.384345 -1.786170


