%chk=000227382.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227382

0 1
 O   0.7778000      0.8540000      -1.306300    
 O   0.6369000      -1.879300      -1.069900    
 O    5.472400     -3.2099999E-02   1.442500    
 O   -3.807000      -2.826500      0.7723000    
 O   -4.797700     -0.8859000       1.040400    
 N   -3.693300       1.200500      0.4598000    
 N   -3.813400      -1.576900      0.6918000    
 C   -1.456200       1.073900     -0.4270000    
 C  -0.3610000      0.2825000     -0.8128000    
 C   -2.626400      0.4717000      8.0899999E-02
 C  -0.4184000      -1.103500     -0.6983000    
 C   -2.656600     -0.9162000      0.1848000    
 C   -1.567900      -1.703200     -0.1989000    
 C   -1.425200       2.471000     -0.5316000    
 C    1.954700      0.6306000     -0.6166000    
 C   -2.523100       3.224600     -0.1421000    
 C   -3.622900       2.546300      0.3428000    
 C    1.962200      0.7430000      0.7630000    
 C    3.099400      0.3013000      -1.322300    
 C    4.313200      0.1864000      0.7636000    
 C    3.150500      0.5193000       1.458400    
 C    4.287700      7.7399999E-02 -0.6269000    
 C   0.4904000      -3.290100     -0.9179000    
 C    6.623800     -0.3688000      0.6701000    
 H   -1.647400      -2.779100     -9.5799997E-02
 H  -0.5508000       2.990600     -0.9160000    
 H   -2.516300       4.305700     -0.2160000    
 H   -4.510400       3.082400      0.6626000    
 H    1.076200       1.019000       1.326800    
 H    3.079900      0.2158000      -2.404700    
 H    3.165300      0.6096000       2.541200    
 H    5.153200     -0.1778000      -1.228800    
 H    1.424300      -3.747600      -1.261200    
 H  -0.3077000      -3.685400      -1.555500    
 H   0.3685000      -3.573300      0.1332000    
 H    7.453700     -0.5076000       1.370700    
 H    6.907900      0.4457000     -4.8000002E-03
 H    6.489800      -1.318600      0.1412000    


%chk=000227382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227382

0 1
O 0.770099 0.755143 -1.062943
O 0.501680 -2.012012 -0.776974
O 5.796980 -0.171344 1.319417
O -4.468017 -2.661229 0.175250
O -4.885417 -0.888107 1.553924
N -3.928143 1.381781 0.145985
N -4.180471 -1.492273 0.666575
C -1.521239 1.073415 -0.384133
C -0.421815 0.184093 -0.599301
C -2.822815 0.562141 0.006686
C -0.597601 -1.214818 -0.472439
C -2.930714 -0.857883 0.194115
C -1.862565 -1.720736 -0.067883
C -1.387250 2.491715 -0.552115
C 2.024981 0.448185 -0.448940
C -2.501829 3.307942 -0.367983
C -3.759301 2.703079 -0.042009
C 2.140671 0.103371 0.916449
C 3.163328 0.606063 -1.257300
C 4.576294 0.053202 0.662097
C 3.418644 -0.097336 1.467173
C 4.448474 0.410127 -0.703948
C 0.347247 -3.470552 -0.680430
C 7.023063 -0.021167 0.533181
H -2.035971 -2.794612 0.036570
H -0.412214 2.898507 -0.832865
H -2.436404 4.393623 -0.485715
H -4.659081 3.320555 0.062830
H 1.249500 -0.001753 1.543703
H 3.038789 0.876245 -2.309884
H 3.543322 -0.364996 2.520516
H 5.327477 0.535007 -1.342595
H 1.325768 -3.874085 -0.975732
H -0.435280 -3.833822 -1.372769
H 0.111540 -3.780475 0.354987
H 7.842427 -0.235459 1.234736
H 7.127779 1.009799 0.141861
H 7.054164 -0.741933 -0.307395


