%chk=000009498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009498

0 1
 O   0.5973000       2.602500     -0.3204000    
 O   -5.664300     -0.1512000      0.5192000    
 O   -4.886700      -2.049500     -0.2624000    
 N    2.787800      0.9725000     -0.1337000    
 N    1.522400      0.4926000     -9.0300001E-02
 N   -4.718000     -0.8593000      9.7599998E-02
 C    5.740600     -0.9473000      0.4873000    
 C    4.767300      -2.011800     -1.0500000E-02
 C    5.158500      0.3689000     -1.3600000E-02
 C    3.388200      -1.395200      0.1904000    
 C    3.690900      6.2199999E-02  2.0000001E-03
 C   0.4733000       1.387100     -0.1918000    
 C  -0.8887000      0.7975000     -0.1154000    
 C   -1.926800       1.578100      0.3482000    
 C   -1.070700     -0.5112000     -0.5113000    
 C   -3.416600     -0.2964000      2.5200000E-02
 C   -3.205300       1.024900      0.4196000    
 C   -2.349200      -1.064500     -0.4402000    
 H    6.758700      -1.112400      0.1230000    
 H    5.768200     -0.9523000       1.584000    
 H    4.877500      -2.958200      0.5268000    
 H    4.942200      -2.205100      -1.076200    
 H    5.466900      0.5817000      -1.041600    
 H    5.404100       1.212100      0.6356000    
 H    3.021800      -1.568600       1.206900    
 H    2.693100      -1.797000     -0.5510000    
 H    1.364900     -0.4836000      0.1171000    
 H   -1.777500       2.606400      0.6636000    
 H  -0.2739000      -1.130200     -0.9105000    
 H   -4.012600       1.652500      0.7884000    
 H   -2.478300      -2.094600     -0.7626000    


%chk=000009498-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009498

0 1
O 0.587458 2.639881 -0.155059
O -5.880427 -0.012226 0.532599
O -5.157770 -1.964381 -0.400652
N 2.805593 0.899483 -0.147524
N 1.478287 0.463800 -0.061338
N -4.956244 -0.769558 0.045826
C 5.941636 -0.860221 0.494794
C 5.048418 -2.063768 0.084043
C 5.210897 0.364385 -0.115113
C 3.596400 -1.522309 0.214712
C 3.738538 -0.014603 -0.031486
C 0.429012 1.390467 -0.110195
C -0.950109 0.766916 -0.077784
C -2.005979 1.563259 0.437568
C -1.235810 -0.531294 -0.580285
C -3.570753 -0.234189 -0.001444
C -3.321262 1.068121 0.485911
C -2.548327 -1.040788 -0.544616
H 6.979633 -0.960440 0.134861
H 5.975198 -0.771775 1.597294
H 5.221695 -2.960618 0.702797
H 5.250955 -2.338160 -0.968368
H 5.498820 0.495098 -1.177926
H 5.416334 1.319572 0.395259
H 3.203419 -1.702617 1.237681
H 2.898171 -2.011372 -0.494159
H 1.262914 -0.526804 0.112413
H -1.769172 2.573725 0.784112
H -0.449770 -1.137518 -1.044306
H -4.147680 1.661207 0.885652
H -2.794974 -2.032672 -0.931867


