%chk=000052220.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052220

0 1
 O    4.789400      -1.373000      -1.519200    
 O    5.551600     -0.1112000       1.781200    
 C   0.2691000     -8.3800003E-02 -5.4000001E-02
 C   -1.134800      0.1901000     -3.0900000E-02
 C    1.229300      0.9650000     -0.1241000    
 C    3.028500     -0.7094000     -8.7399997E-02
 C    2.620600      0.6396000     -0.1452000    
 C   0.7043000      -1.425200     -5.7999999E-03
 C    4.491200      -1.093400     -0.1511000    
 C   -2.096600     -0.8565000      3.6300000E-02
 C   -1.571300       1.528800     -7.5199999E-02
 C    2.068900      -1.723600     -2.5000000E-02
 C    5.435000      2.0999999E-03  0.3640000    
 C   -3.500800     -0.5414000      5.7300001E-02
 C   0.7321000       2.284200     -0.1600000    
 C    3.677300       1.668200     -0.2342000    
 C  -0.2337000      -2.454500      5.9200000E-02
 C   -1.599600      -2.175200      7.9499997E-02
 C  -0.6345000       2.560000     -0.1380000    
 C   -3.901900      0.8152000      1.0900000E-02
 C    4.959600       1.381700      2.7100001E-02
 C   -2.937400       1.824100     -5.4200001E-02
 C   -4.538500      -1.507200      0.1230000    
 C   -5.264700       1.161500      2.9800000E-02
 C   -5.889900      -1.151100      0.1414000    
 C   -6.253300      0.1850000      9.4599999E-02
 H    4.660000      -2.012000      0.4249000    
 H    2.397600      -2.761800      4.4000000E-03
 H    6.434300     -0.1435000     -6.1700001E-02
 H    1.398000       3.141800     -0.2018000    
 H    3.417700       2.687700     -0.4894000    
 H   8.3400004E-02  -3.495100      9.5799997E-02
 H   -2.268000      -3.030500      0.1313000    
 H  -0.9536000       3.600200     -0.1690000    
 H    5.698800       2.177000     -8.5000005E-03
 H   -3.257000       2.866300     -8.9100003E-02
 H   -4.315900      -2.570300      0.1617000    
 H   -5.570400       2.205800     -6.0999999E-03
 H    4.168500      -2.051700      -1.834600    
 H    4.663500     -2.4200000E-02   2.167900    
 H   -6.653000      -1.922300      0.1922000    
 H   -7.301100      0.4686000      0.1084000    


%chk=000052220-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052220

0 1
O 4.871156 -1.250710 -1.642278
O 5.738482 -0.233470 1.784950
C 0.252483 -0.107201 -0.037900
C -1.159510 0.188831 -0.029516
C 1.236463 0.952782 -0.116365
C 3.037941 -0.747421 -0.066071
C 2.632895 0.628880 -0.123100
C 0.687040 -1.478184 0.047041
C 4.507632 -1.111048 -0.204525
C -2.131442 -0.866469 0.055039
C -1.597147 1.572279 -0.104427
C 2.082671 -1.766538 0.034812
C 5.481738 -0.044305 0.331409
C -3.551039 -0.543410 0.057891
C 0.753942 2.320387 -0.180272
C 3.686463 1.654171 -0.142905
C -0.300124 -2.518104 0.136976
C -1.655472 -2.223614 0.138282
C -0.593939 2.612950 -0.178646
C -3.958360 0.846305 -0.021435
C 5.008037 1.362731 0.058097
C -2.968290 1.870833 -0.099494
C -4.579105 -1.538618 0.135591
C -5.355659 1.176528 -0.019096
C -5.933553 -1.190445 0.135996
C -6.329142 0.180913 0.058101
H 4.715478 -2.064894 0.321415
H 2.410679 -2.812331 0.101646
H 6.461911 -0.235058 -0.134935
H 1.471575 3.143092 -0.234059
H 3.400799 2.700095 -0.291599
H 0.037499 -3.558836 0.203568
H -2.372158 -3.046389 0.206155
H -0.931553 3.654553 -0.233305
H 5.757927 2.160835 0.078465
H -3.292560 2.917383 -0.156422
H -4.311891 -2.597675 0.195876
H -5.645211 2.232251 -0.079886
H 4.143569 -1.742918 -2.101464
H 4.982842 0.168056 2.287574
H -6.697750 -1.973041 0.196142
H -7.392615 0.442825 0.059074


