%chk=000099443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099443

0 1
 O   -1.576100      -2.464300     -0.4235000    
 O   -1.640500       2.126800      0.3597000    
 O    4.413400     -0.1440000      0.1326000    
 N   -1.172200     -0.1693000     -8.2000000E-03
 C   -3.404300     -0.9600000     -0.1386000    
 C   -1.940100      -1.316100     -0.1969000    
 C   0.2619000     -0.1630000      2.7500000E-02
 C   -3.353900      0.5120000      2.3499999E-02
 C   -1.951500      0.9685000      0.1345000    
 C   0.9675000      0.9606000     -0.4062000    
 C   0.9552000      -1.280600      0.4960000    
 C    2.362000      0.9668000     -0.3714000    
 C    2.349500      -1.274200      0.5308000    
 C    3.053000     -0.1506000      9.7099997E-02
 C   -4.393300       1.349200      6.7400001E-02
 C    5.069200       1.038000     -0.3242000    
 H   -3.864800      -1.454100      0.7209000    
 H   -3.889500      -1.253600      -1.073300    
 H   0.4664000       1.835300     -0.8090000    
 H   0.4436000      -2.159700      0.8750000    
 H    2.845800       1.869000     -0.7298000    
 H    2.882600      -2.144400      0.9043000    
 H   -5.407900      0.9745000     -1.8400000E-02
 H   -4.264400       2.419300      0.1878000    
 H    4.872100       1.222800      -1.385600    
 H    6.146500      0.8693000     -0.2240000    
 H    4.821700       1.902800      0.3007000    


%chk=000099443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099443

0 1
O -1.503681 -2.505787 -0.471905
O -1.634927 2.144106 0.360204
O 4.462236 -0.146064 0.194022
N -1.201010 -0.179015 -0.033751
C -3.452733 -0.983930 -0.220158
C -1.970575 -1.362549 -0.265773
C 0.239647 -0.144285 0.008433
C -3.460167 0.505174 0.044788
C -2.041799 0.975368 0.149194
C 0.939897 0.976681 -0.494986
C 0.962965 -1.235617 0.559760
C 2.349226 1.017367 -0.449048
C 2.365084 -1.200316 0.600509
C 3.066351 -0.074972 0.098520
C -4.510878 1.349846 0.185990
C 5.235304 0.991172 -0.314306
H -3.955451 -1.569396 0.570890
H -3.927203 -1.261950 -1.178342
H 0.390152 1.825770 -0.906053
H 0.432295 -2.111041 0.939017
H 2.866619 1.898011 -0.839949
H 2.938098 -2.032969 1.018355
H -5.548612 1.006753 0.117865
H -4.330308 2.413628 0.377396
H 5.063129 1.141431 -1.397614
H 6.287409 0.722886 -0.139605
H 4.990829 1.920696 0.235248


