%chk=000004456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004456

1 1
 O   -1.624600      0.2985000     -0.7574000    
 O   -2.043800     -0.1126000       1.480800    
 N    3.015900     -0.8861000     -9.3000000E-03
 N   -3.741200     -0.4757000     -6.7299999E-02
 C    1.896500      0.1572000     -4.6399999E-02
 C    3.591400     -0.9381000       1.403100    
 C    4.089600     -0.4902000      -1.019000    
 C    2.515500      -2.283000     -0.3710000    
 C   0.6612000     -0.2809000     -0.3889000    
 C    2.234900       1.430600      0.2678000    
 C  -0.3590000      0.6697000     -0.4214000    
 C    1.214600       2.381100      0.2353000    
 C  -8.2300000E-02   2.000600     -0.1093000    
 C   -2.449200     -0.1022000      0.3190000    
 C   -4.706100     -0.9126000      0.9318000    
 C   -4.213400     -0.4563000      -1.448000    
 H    2.778200      -1.146200       2.105800    
 H    4.332900      -1.742900       1.438000    
 H    4.084000      8.5000005E-03   1.641400    
 H    4.563500      0.4462000     -0.7121000    
 H    4.845500      -1.282000      -1.038800    
 H    3.624200     -0.3903000      -2.004900    
 H    2.138300      -2.284700      -1.398900    
 H    3.370700      -2.966700     -0.3186000    
 H    1.770400      -2.608700      0.3624000    
 H   0.3842000      -1.294800     -0.6418000    
 H    3.233600       1.751400      0.5374000    
 H    1.429800       3.417700      0.4780000    
 H  -0.8725000       2.746200     -0.1331000    
 H   -4.279400     -0.9013000       1.937900    
 H   -5.024700      -1.931100      0.6918000    
 H   -5.569700     -0.2420000      0.9040000    
 H   -5.069700      0.2211000      -1.514900    
 H   -4.525000      -1.467500      -1.725100    
 H   -3.442300     -0.1209000      -2.144200    


%chk=000004456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004456

1 1
O -1.785365 0.573085 -0.342630
O -1.721260 -1.757099 0.154584
N 3.014285 -0.859262 0.233896
N -3.748180 -0.626309 -0.201361
C 1.930313 0.191303 -0.044305
C 3.804104 -0.456804 1.487386
C 3.960816 -0.947208 -0.971657
C 2.437992 -2.256332 0.475527
C 0.579271 -0.195850 -0.048197
C 2.337300 1.520949 -0.285597
C -0.401117 0.798540 -0.305426
C 1.339291 2.488963 -0.540303
C -0.023881 2.139279 -0.552106
C -2.391679 -0.720805 -0.103342
C -4.553960 -1.848193 0.008752
C -4.500690 0.608189 -0.502454
H 3.104575 -0.390222 2.333392
H 4.574075 -1.219497 1.682508
H 4.276881 0.520750 1.324003
H 4.434200 0.029536 -1.138177
H 4.730248 -1.707521 -0.765222
H 3.371456 -1.226216 -1.857274
H 1.886322 -2.588444 -0.415234
H 3.279693 -2.939039 0.667454
H 1.769943 -2.235474 1.348080
H 0.227617 -1.210650 0.134510
H 3.387395 1.829437 -0.282957
H 1.633151 3.525195 -0.730465
H -0.799619 2.884096 -0.747741
H -3.886920 -2.696372 0.217439
H -5.150518 -2.065868 -0.895552
H -5.240678 -1.705240 0.862625
H -5.196858 0.831476 0.326669
H -5.089952 0.469753 -1.427449
H -3.816252 1.453854 -0.635277


