%chk=000040077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040077

0 1
 O   -3.129900      -2.225800     -0.2884000    
 O    1.327100       2.332600     -0.2040000    
 O   -1.109200      -2.018400      0.7944000    
 N   7.2400004E-02  0.3577000      2.0700000E-02
 N    4.845100      0.2614000      0.4288000    
 C   -1.248900      0.8137000      8.1000002E-03
 C   -2.317100     -7.5999998E-02  0.1216000    
 C   -1.491000       2.181300     -0.1205000    
 C   -3.627500      0.4020000      0.1066000    
 C    1.244700       1.115200     -8.2400002E-02
 C    2.509300      0.3341000     -6.5700002E-02
 C   -2.801300       2.659400     -0.1354000    
 C   -3.869500       1.769700     -2.1900000E-02
 C   -2.099500      -1.511000      0.2558000    
 C    2.514100     -0.9672000     -0.5047000    
 C    3.662500      0.9152000      0.3871000    
 C    3.712000      -1.672600     -0.4771000    
 C    4.839100      -1.018800     -5.5999998E-03
 C   -3.032300      -3.652400     -0.2173000    
 H   0.1717000     -0.6425000      0.1579000    
 H  -0.7266000       2.938500     -0.2134000    
 H   -4.482500     -0.2614000      0.2076000    
 H   -2.991500       3.724300     -0.2345000    
 H   -4.889600       2.142700     -3.0200001E-02
 H    1.641600      -1.468400     -0.9094000    
 H    3.701700       1.937600      0.7474000    
 H    3.764400      -2.698900     -0.8222000    
 H    5.798400      -1.524300      3.4100000E-02
 H   -3.000300      -3.976300      0.8271000    
 H   -2.144900      -3.996900     -0.7563000    
 H   -3.920300      -4.078500     -0.6914000    


%chk=000040077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040077

0 1
O -3.253237 -2.253701 -0.144525
O 1.327508 2.397392 0.059767
O -0.947493 -2.042581 -0.118478
N 0.058260 0.416518 -0.017983
N 4.964527 0.341797 0.049601
C -1.260875 0.912667 -0.012560
C -2.351652 -0.032962 -0.055168
C -1.556738 2.304841 0.033202
C -3.690994 0.445592 -0.049144
C 1.258030 1.129651 0.012374
C 2.506324 0.280959 -0.013503
C -2.893285 2.743254 0.037169
C -3.968952 1.821179 -0.003358
C -2.096009 -1.489183 -0.106942
C 2.534779 -1.135951 -0.112803
C 3.751504 0.963373 0.063970
C 3.783217 -1.793653 -0.129148
C 4.965235 -1.022490 -0.046492
C -3.058588 -3.722514 -0.198568
H 0.091327 -0.618861 -0.049200
H -0.726267 3.011571 0.064902
H -4.500661 -0.287758 -0.081740
H -3.097305 3.819218 0.072693
H -5.004584 2.174826 0.000612
H 1.621220 -1.737640 -0.179929
H 3.753093 2.055328 0.139358
H 3.841394 -2.883745 -0.205530
H 5.951737 -1.499821 -0.057258
H -2.498214 -4.065940 0.686667
H -2.504591 -3.999824 -1.110675
H -4.076505 -4.135541 -0.210510


