%chk=000155637.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155637

0 1
 O    3.340100      -2.369900      0.3547000    
 O    3.367700       2.226200      0.9458000    
 O    3.997700       1.659300      -1.161800    
 C    3.116600      -1.074100     -0.2151000    
 C    1.652100     -0.7972000     -0.1630000    
 C   -1.087300     -0.2788000     -6.4800002E-02
 C    3.972200     -4.9100000E-02  0.5445000    
 C   0.9266000     -0.6529000      -1.345700    
 C    1.007700     -0.6825000       1.068800    
 C  -0.4431000     -0.3935000      -1.296500    
 C  -0.3620000     -0.4232000       1.118000    
 C   -2.508300     -1.0500000E-02 -1.3400000E-02
 C   -2.968700       1.305900      1.7500000E-02
 C   -3.417800      -1.068000      4.4999998E-03
 C    3.780400       1.345300      1.5000000E-03
 C   -4.338500       1.564800      6.6699997E-02
 C   -4.787600     -0.8090000      5.3599998E-02
 C   -5.247800      0.5074000      8.4700003E-02
 H    3.455900      -1.122500      -1.257200    
 H    3.751000     -6.4999998E-02   1.618400    
 H    5.036500     -0.3016000      0.4667000    
 H    1.414100     -0.7389000      -2.313200    
 H    1.551900     -0.8009000       2.001700    
 H  -0.9936000     -0.2836000      -2.227900    
 H  -0.8492000     -0.3388000       2.086500    
 H   -2.273500       2.142100      3.8999999E-03
 H   -3.076000      -2.100100     -1.9300001E-02
 H    4.292600      -2.555700      0.2920000    
 H   -4.697100       2.589700      9.0899996E-02
 H   -5.495800      -1.632200      6.7699999E-02
 H   -6.314300      0.7089000      0.1229000    
 H    3.258200       3.130000      0.5807000    


%chk=000155637-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155637

0 1
O 3.421524 -2.375563 0.428081
O 4.072924 2.425441 0.771999
O 3.922351 1.554489 -1.373125
C 3.172272 -1.067170 -0.203352
C 1.668998 -0.828221 -0.163010
C -1.145859 -0.303729 -0.044359
C 3.963093 0.027196 0.574657
C 1.037323 -0.050896 -1.164331
C 0.883416 -1.347645 0.894965
C -0.347475 0.207891 -1.103513
C -0.500496 -1.089775 0.950567
C -2.611497 -0.033301 0.016370
C -3.148999 1.197125 -0.454110
C -3.513386 -0.997547 0.546513
C 3.970177 1.365958 -0.136457
C -4.535368 1.454263 -0.397944
C -4.899806 -0.741352 0.605805
C -5.419336 0.486383 0.133430
H 3.519555 -1.065787 -1.256536
H 3.559810 0.145915 1.593507
H 5.023532 -0.286301 0.674069
H 1.628965 0.346183 -1.997026
H 1.364124 -1.968221 1.657207
H -0.819846 0.782684 -1.908073
H -1.084710 -1.480948 1.791345
H -2.472418 1.968890 -0.838526
H -3.129373 -1.966416 0.885363
H 4.379243 -2.609473 0.330279
H -4.925026 2.412708 -0.759408
H -5.575842 -1.503142 1.010400
H -6.495819 0.685494 0.178046
H 4.098647 3.286467 0.270969


