%chk=000063121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063121

0 1
 O   -1.908500      -2.732400     -0.5160000    
 N  -0.5721000      0.7578000      0.9338000    
 N  -0.2371000      -1.568100      0.5348000    
 C    1.510800     -0.3338000       1.634900    
 C   0.1489000     -0.4119000      0.9907000    
 C   -1.837800      0.7473000      0.3444000    
 C   -2.333800     -0.4579000     -0.1715000    
 C    2.556800     -6.6999998E-03  0.6158000    
 C   -1.479600      -1.674600     -6.5499999E-02
 C   -2.619300       1.902200      0.2580000    
 C   -3.596000     -0.5114000     -0.7688000    
 C    2.874600       1.322900      0.3523000    
 C    3.206400      -1.033700     -6.3400000E-02
 C   -3.880500       1.851600     -0.3382000    
 C   -4.366800      0.6483000     -0.8500000    
 C    3.849600       1.627700     -0.5975000    
 C    4.181400     -0.7289000      -1.013300    
 C    4.503000      0.6018000      -1.280300    
 H    1.737300      -1.290100       2.122800    
 H    1.500600      0.4195000       2.432100    
 H  -0.2156000       1.631000       1.303400    
 H   -2.253700       2.846900      0.6523000    
 H   -3.992800      -1.438100      -1.173000    
 H    2.372600       2.131000      0.8772000    
 H    2.963900      -2.074300      0.1349000    
 H   -4.484900       2.751800     -0.4038000    
 H   -5.348900      0.6145000      -1.313000    
 H    4.099900       2.663800     -0.8057000    
 H    4.689900      -1.527600      -1.545300    
 H    5.262000      0.8392000      -2.020100    


%chk=000063121-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063121

0 1
O -2.902667 -2.555906 1.643410
N -0.253387 0.234425 0.262090
N -0.694988 -1.776630 1.492772
C 1.618175 -0.952807 1.396017
C 0.135326 -0.852345 1.031736
C -1.599521 0.431452 -0.090058
C -2.546689 -0.525373 0.378753
C 2.556699 -0.111740 0.542685
C -2.093299 -1.686669 1.209105
C -2.008441 1.535224 -0.881511
C -3.913342 -0.356834 0.042222
C 2.987841 1.168431 0.979792
C 3.003357 -0.583380 -0.720521
C -3.370277 1.679927 -1.201574
C -4.327446 0.735288 -0.740928
C 3.845169 1.957990 0.177943
C 3.859493 0.202261 -1.523787
C 4.282736 1.476739 -1.077202
H 1.872331 -2.025237 1.343381
H 1.704904 -0.670880 2.462619
H 0.468278 0.882804 -0.067387
H -1.270507 2.263791 -1.237267
H -4.620593 -1.105543 0.414086
H 2.664588 1.541331 1.959897
H 2.683720 -1.572975 -1.069392
H -3.693690 2.529946 -1.812233
H -5.384136 0.861053 -0.998195
H 4.175185 2.939619 0.535569
H 4.200390 -0.179900 -2.492356
H 4.951091 2.083737 -1.697668


