%chk=000074180.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074180

0 1
 O    2.750300      -1.098100     -3.9999999E-04
 O   -3.301600      0.4385000       0.000000    
 O   -2.470700       2.585200     -1.3000000E-03
 C   0.4523000      -2.772100      1.0000000E-03
 C    2.651900       1.743300     -2.9000000E-03
 C   0.3652000      -1.236900      7.9999998E-04
 C    1.426100      0.8907000     -2.6000000E-03
 C    1.523900     -0.5009000     -1.3000000E-03
 C  -0.9699000      -3.373100      1.7000000E-03
 C    1.206000      -3.249500       1.261200    
 C    1.193900      -3.356300      -1.222700    
 C    2.396000       3.098900      0.7245000    
 C    3.113100       2.067800      -1.457000    
 C    3.901200       1.120100      0.7022000    
 C  -0.8863000     -0.6701000      1.3000000E-03
 C   0.1720000       1.501700     -2.0000001E-03
 C  -0.9841000      0.7211000     -9.9999997E-05
 C   -2.290400       1.360300     -1.9999999E-04
 C   -4.640100      0.9463000     -1.3000000E-03
 C   -5.608800     -0.2169000     -1.0000000E-03
 H  -0.9099000      -4.470000      1.3200000E-02
 H   -1.542900      -3.109400      0.8990000    
 H   -1.539500      -3.121800     -0.9014000    
 H   0.7766000      -2.807100       2.168200    
 H    1.129600      -4.338900       1.365700    
 H    2.274300      -3.018200       1.254500    
 H    1.139800      -4.451500      -1.231200    
 H   0.7460000      -2.994500      -2.155700    
 H    2.255300      -3.095200      -1.250100    
 H    3.328200       3.665100      0.8440000    
 H    1.728600       3.761400      0.1629000    
 H    1.979300       2.944200       1.726800    
 H    2.323900       2.589500      -2.011000    
 H    4.002700       2.707900      -1.459200    
 H    3.351700       1.154000      -2.012900    
 H    4.447100      0.4043000      8.0700003E-02
 H    3.635700      0.6558000       1.659000    
 H    4.643800       1.896700      0.9286000    
 H   -1.802200      -1.239900      1.0000000E-03
 H   5.9200000E-02   2.579400     -3.1399999E-02
 H    3.152100     -0.9014000     -0.8652000    
 H   -4.796600       1.560600      0.8921000    
 H   -4.795500       1.559200     -0.8960000    
 H   -6.643900      0.1359000     -2.0000001E-03
 H   -5.450000     -0.8506000     -0.8798000    
 H   -5.451200     -0.8492000      0.8790000    


%chk=000074180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074180

0 1
O 2.766687 -1.180519 -0.180711
O -3.391492 0.454106 0.172444
O -2.489420 2.601119 0.288443
C 0.477722 -2.916679 -0.161991
C 2.716414 1.810445 -0.013063
C 0.369256 -1.372181 -0.073331
C 1.449275 0.908061 -0.000004
C 1.523595 -0.523403 -0.082618
C -0.919941 -3.592808 -0.127815
C 1.292757 -3.469698 1.047431
C 1.162225 -3.330447 -1.501078
C 2.346711 3.316801 0.083633
C 3.505834 1.644682 -1.353996
C 3.627849 1.507257 1.222044
C -0.885872 -0.735333 0.019530
C 0.161260 1.473539 0.092821
C -1.003069 0.672466 0.102053
C -2.318017 1.356563 0.197416
C -4.750739 1.061122 0.261050
C -5.751872 -0.083885 0.141215
H -0.787125 -4.688312 -0.190599
H -1.464706 -3.375893 0.809837
H -1.552189 -3.283876 -0.980813
H 0.799112 -3.209128 2.002274
H 1.351643 -4.572820 0.982217
H 2.316925 -3.066448 1.059911
H 1.230377 -4.433464 -1.558563
H 0.569646 -2.978492 -2.366101
H 2.178242 -2.914066 -1.578362
H 3.273704 3.918865 0.068444
H 1.721084 3.642771 -0.766494
H 1.810090 3.550355 1.020514
H 2.861372 1.923846 -2.206709
H 4.388300 2.310877 -1.354909
H 3.870202 0.619694 -1.556930
H 3.999415 0.466739 1.280589
H 3.069603 1.694335 2.156712
H 4.512373 2.170625 1.208693
H -1.802526 -1.325913 0.029491
H 0.023243 2.555024 0.158540
H 3.505368 -0.525863 -0.180379
H -4.832536 1.595535 1.225272
H -4.856852 1.804037 -0.550338
H -6.782470 0.311204 0.202300
H -5.636862 -0.607307 -0.823456
H -5.612394 -0.817230 0.954088


