%chk=000080470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080470

0 1
 O   -2.405500      -1.310600     -0.2929000    
 O    3.367100       1.260700      0.7095000    
 O   -1.439900       2.645900     -8.0200002E-02
 O   -2.979300       1.089300     -0.2435000    
 N   -1.779800       1.441000     -0.1477000    
 C    1.569100     -0.1481000      2.2200000E-02
 C  -0.7704000      0.4395000     -0.1150000    
 C   -1.105600     -0.9124000     -0.1898000    
 C   0.5669000      0.8217000     -8.9999996E-03
 C    1.233800      -1.500000     -5.2400000E-02
 C  -0.1035000      -1.882200     -0.1583000    
 C    2.963900      0.2486000      0.1323000    
 C    3.991000     -0.6451000     -0.4999000    
 C   -3.107900      -1.548300      0.9248000    
 H   0.8515000       1.870100      4.6999998E-02
 H    1.987800      -2.281000     -1.4400000E-02
 H  -0.3574000      -2.937400     -0.2129000    
 H    3.618700      -1.086400      -1.428900    
 H    4.288000      -1.428200      0.2025000    
 H    4.872700     -5.1100001E-02 -0.7620000    
 H   -2.890100     -0.7873000       1.681600    
 H   -2.840100      -2.535700       1.313800    
 H   -4.180400      -1.537400      0.7119000    


%chk=000080470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080470

0 1
O -2.505542 -1.221169 -0.293977
O 3.327200 1.545503 -0.047738
O -1.500913 2.724112 -0.453185
O -2.824206 1.352466 0.800823
N -1.765126 1.591526 0.103193
C 1.595074 -0.120491 -0.153810
C -0.764740 0.507289 -0.037592
C -1.169043 -0.857381 -0.141200
C 0.590920 0.874148 -0.066954
C 1.204139 -1.484354 -0.240927
C -0.156847 -1.842446 -0.244210
C 3.036467 0.320050 -0.157159
C 4.125838 -0.736075 -0.295358
C -3.218251 -1.709900 0.910865
H 0.884375 1.927624 -0.014784
H 1.961472 -2.270358 -0.322627
H -0.465622 -2.886295 -0.359489
H 4.017306 -1.298992 -1.241287
H 4.081494 -1.466850 0.533896
H 5.107807 -0.240313 -0.283369
H -3.320985 -0.886747 1.637505
H -2.683520 -2.569854 1.357946
H -4.206695 -2.025895 0.548138


