%chk=000139772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139772

0 1
 O   -3.502300     -0.3268000      0.1798000    
 C   0.6180000      0.2484000     -0.2021000    
 C    1.827200      0.3322000      -1.150600    
 C    1.297600      0.4183000       1.167500    
 C    2.970900     -0.3742000     -0.4218000    
 C    2.604600     -0.3645000       1.061300    
 C  -0.3869000       1.373000     -0.5062000    
 C  -7.0400000E-02  -1.100400     -0.2971000    
 C   -1.675600       1.222500      0.2912000    
 C   -1.392000      -1.287400     -0.1977000    
 C   -2.291200     -0.1411000      7.5599998E-02
 H    2.109600       1.379400      -1.320600    
 H    1.637500     -0.1166000      -2.132000    
 H   0.6864000      6.4599998E-02   2.005000    
 H    1.528900       1.475000       1.354100    
 H    3.924100      0.1326000     -0.6051000    
 H    3.078100      -1.405800     -0.7757000    
 H    2.465200      -1.391900       1.417300    
 H    3.391900      8.7800004E-02   1.672700    
 H  -0.6313000       1.361100      -1.577800    
 H   5.4400001E-02   2.356100     -0.3011000    
 H   0.5511000      -1.979400     -0.4536000    
 H   -2.392400       1.982600     -3.8100000E-02
 H   -1.498300       1.357100       1.363500    
 H   -1.831900      -2.274300     -0.2800000    


%chk=000139772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139772

0 1
O -3.593751 -0.366451 0.148759
C 0.623952 0.283870 -0.207228
C 1.854903 0.338085 -1.167984
C 1.329819 0.443377 1.187925
C 3.005885 -0.415702 -0.438060
C 2.632863 -0.396586 1.084489
C -0.409954 1.397407 -0.512689
C -0.047280 -1.078964 -0.288941
C -1.728044 1.219822 0.275192
C -1.395816 -1.279017 -0.187455
C -2.343652 -0.167248 0.068031
H 2.127239 1.401404 -1.317885
H 1.629277 -0.084670 -2.164031
H 0.689973 0.136211 2.033768
H 1.573764 1.515931 1.323107
H 3.980480 0.066918 -0.629824
H 3.092547 -1.455573 -0.802863
H 2.459183 -1.423957 1.453176
H 3.438859 0.033183 1.704840
H -0.637399 1.382480 -1.597633
H 0.035085 2.386485 -0.289782
H 0.611939 -1.947759 -0.435884
H -2.479890 1.979656 -0.001807
H -1.540018 1.339070 1.362639
H -1.836764 -2.279670 -0.271360


