%chk=000079497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079497

0 1
 O    4.558700     -8.9999998E-04 -2.3600001E-02
 C   0.3440000      0.2328000      0.3860000    
 C    1.009400       1.044600     -0.7395000    
 C    1.023300      -1.137900      0.5550000    
 C    2.513200       1.180100     -0.5145000    
 C    2.526900     -0.9906000      0.7736000    
 C    3.183300     -0.1819000     -0.3426000    
 C   -1.153200      9.8700002E-02  0.1762000    
 C   -2.016900       1.053800      0.7082000    
 C   -1.658900     -0.9791000     -0.5471000    
 C   -3.392900      0.9305000      0.5158000    
 C   -3.035000      -1.102500     -0.7395000    
 C   -3.901900     -0.1476000     -0.2080000    
 H   0.4970000      0.7770000       1.329600    
 H   0.5618000       2.044100     -0.8015000    
 H   0.8294000      0.5617000      -1.709000    
 H   0.8992000      -1.766200     -0.3336000    
 H   0.5835000      -1.682300       1.399700    
 H    2.972600       1.713900      -1.355200    
 H    2.701200       1.803300      0.3695000    
 H    2.714400     -0.5112000       1.743300    
 H    2.996300      -1.979800      0.8387000    
 H    3.133700     -0.7406000      -1.284100    
 H    4.612000      0.5052000      0.8051000    
 H   -1.632600       1.899600       1.271900    
 H   -1.025500      -1.730100      -1.004700    
 H   -4.068000       1.674500      0.9287000    
 H   -3.431700      -1.938000      -1.308900    
 H   -4.973200     -0.2428000     -0.3594000    


%chk=000079497-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079497

0 1
O 4.682652 -0.119383 -0.062002
C 0.337038 0.320052 0.340000
C 1.049727 0.895406 -0.917897
C 1.012730 -1.017201 0.767529
C 2.570942 1.064154 -0.687503
C 2.534369 -0.844026 0.992308
C 3.224714 -0.265828 -0.259285
C -1.167845 0.154960 0.137942
C -2.089796 0.810063 0.993402
C -1.684596 -0.671530 -0.896172
C -3.484790 0.649998 0.825656
C -3.076431 -0.834357 -1.069206
C -3.984328 -0.173868 -0.208018
H 0.493980 1.045538 1.167056
H 0.594902 1.865681 -1.193304
H 0.884181 0.213764 -1.776790
H 0.840501 -1.778517 -0.020457
H 0.531604 -1.401876 1.686573
H 3.066405 1.438929 -1.602302
H 2.741834 1.819687 0.110153
H 2.704192 -0.152282 1.846161
H 3.003473 -1.809736 1.257209
H 3.158062 -0.994699 -1.088360
H 4.831317 0.523548 0.678403
H -1.710104 1.451572 1.798843
H -0.996634 -1.192708 -1.573423
H -4.178510 1.166515 1.499053
H -3.454891 -1.475547 -1.873717
H -5.064598 -0.300008 -0.341755


