%chk=000042674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042674

0 1
 O    3.329000       2.463700      0.4269000    
 C   -1.890000      -1.504900      0.1065000    
 C   -1.785200       1.542500     -0.1564000    
 C   -3.069100     -0.6373000     -0.3873000    
 C   -3.053200      0.7501000      0.2317000    
 C  -0.5682000     -0.7267000      8.7399997E-02
 C  -0.5200000      0.6849000     -2.6000001E-02
 C   -2.160200      -1.986400       1.549200    
 C   -1.842900      -2.744600     -0.8185000    
 C   -1.900400       2.036200      -1.615700    
 C   -1.741800       2.779200      0.7728000    
 C   0.6475000      -1.433500      0.2253000    
 C   0.7441000       1.315500     -5.7500001E-02
 C    1.880400     -0.7841000      0.2105000    
 C    1.929000      0.5918000      6.0699999E-02
 C    3.128000      -1.593000      0.3547000    
 C    3.198900       1.304700      2.7300000E-02
 C    3.674200      -2.058200     -0.9916000    
 H   -4.023200      -1.126500     -0.1519000    
 H   -3.043400     -0.5460000      -1.480500    
 H   -3.951700       1.296200     -8.3700001E-02
 H   -3.127500      0.6602000       1.322900    
 H   -3.130500      -2.491000       1.622400    
 H   -1.397900      -2.699200       1.885300    
 H   -2.157800      -1.157800       2.265700    
 H   -1.545500      -2.467700      -1.836800    
 H   -1.140600      -3.506600     -0.4650000    
 H   -2.826000      -3.226900     -0.8769000    
 H   -1.070000       2.700300      -1.883100    
 H   -1.887100       1.207200      -2.331600    
 H   -2.828200       2.598800      -1.770600    
 H  -0.9663000       3.496000      0.4833000    
 H   -2.694800       3.321000      0.7479000    
 H   -1.550600       2.487000       1.812100    
 H   0.6332000      -2.513700      0.3516000    
 H   0.8018000       2.393800     -0.1896000    
 H    3.898800      -1.050600      0.9138000    
 H    2.918900      -2.477800      0.9708000    
 H    4.080800      0.7649000     -0.3505000    
 H    2.945700      -2.685300      -1.517100    
 H    4.583900      -2.649200     -0.8447000    
 H    3.919400      -1.214700      -1.644600    


%chk=000042674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042674

0 1
O 3.300422 2.579879 -0.077589
C -1.929649 -1.529539 0.130360
C -1.807815 1.571495 -0.165421
C -3.105948 -0.639011 -0.361909
C -3.076041 0.772531 0.245841
C -0.602664 -0.739515 0.100272
C -0.548706 0.687925 -0.019101
C -2.197261 -2.002819 1.593057
C -1.864270 -2.780411 -0.793879
C -1.926012 2.038516 -1.648691
C -1.721845 2.830664 0.744444
C 0.616448 -1.457137 0.234151
C 0.722779 1.300628 -0.033788
C 1.888887 -0.848799 0.229177
C 1.933970 0.574089 0.084998
C 3.137743 -1.719256 0.326708
C 3.211485 1.326762 0.069513
C 3.809774 -1.963489 -1.052317
H -4.059163 -1.144599 -0.111208
H -3.068877 -0.568822 -1.467215
H -3.971491 1.343198 -0.069569
H -3.119956 0.704346 1.351243
H -3.124057 -2.605954 1.633605
H -1.364764 -2.625606 1.967631
H -2.309711 -1.147934 2.283260
H -1.564311 -2.501044 -1.820395
H -1.156374 -3.543618 -0.425174
H -2.863054 -3.253875 -0.844077
H -1.022379 2.593940 -1.958409
H -2.044139 1.184279 -2.339255
H -2.799778 2.706470 -1.770856
H -0.922970 3.524702 0.429654
H -2.678577 3.384798 0.700349
H -1.535135 2.549261 1.797029
H 0.575800 -2.547568 0.342921
H 0.817492 2.387949 -0.131663
H 3.878684 -1.276852 1.019120
H 2.855611 -2.696723 0.761016
H 4.140047 0.722867 0.206616
H 3.102742 -2.442709 -1.753111
H 4.691428 -2.621676 -0.946922
H 4.143134 -1.015049 -1.511217


