%chk=000004992.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004992

0 1
 O   -5.281600      0.1614000     -0.8048000    
 N   0.8870000      9.9900000E-02  0.6152000    
 N    3.499300       2.684100     -4.2800002E-02
 N    1.337200      -2.208900      0.9936000    
 C    1.448900       1.351900      0.1205000    
 C    2.931900       1.437000      0.4687000    
 C  -0.1799000      0.1714000       1.604300    
 C   -1.541500      0.1688000      0.9617000    
 C    1.367500      -1.128300      0.1633000    
 C   -2.185100      -1.038500      0.7297000    
 C   -2.132900       1.374000      0.6101000    
 C    3.323600       2.768800      -1.492200    
 C    4.915800       2.782700      0.3071000    
 C    1.866100      -1.200000      -1.138900    
 C   -3.446300      -1.040600      0.1336000    
 C   -3.393900       1.371800      1.4200000E-02
 C   -4.050700      0.1645000     -0.2241000    
 C    2.348700      -2.418300      -1.603900    
 C    1.815000      -3.376100      0.5067000    
 C    2.326300      -3.532000     -0.7716000    
 C   -5.855400       1.406300      -1.150600    
 H    1.228900       1.432700     -0.9470000    
 H   0.9354000       2.206900      0.5804000    
 H    3.034600       1.409000       1.561700    
 H    3.495600      0.5803000      8.1400000E-02
 H  -7.0000000E-02   1.075900       2.218100    
 H  -0.1109000     -0.6472000       2.332900    
 H   -1.725200      -1.983100       1.005200    
 H   -1.630800       2.320000      0.7918000    
 H    3.650100       1.859700      -2.010500    
 H    3.906500       3.605100      -1.898000    
 H    2.289400       2.995300      -1.768000    
 H    5.511200       1.980300     -0.1437000    
 H    5.048100       2.741500       1.394100    
 H    5.328000       3.743700     -2.0300001E-02
 H    1.880100     -0.3585000      -1.821700    
 H   -3.953100      -1.984300     -4.9100000E-02
 H   -3.809200       2.341200     -0.2399000    
 H    2.737400      -2.501500      -2.614400    
 H    1.774400      -4.213900       1.194700    
 H    2.695900      -4.491900      -1.113200    
 H   -6.033600       2.029500     -0.2674000    
 H   -6.833200       1.204900      -1.600400    
 H   -5.259900       1.931200      -1.905400    


%chk=000004992-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004992

0 1
O -5.287332 0.746413 -0.743146
N 1.031638 -0.333774 0.307584
N 3.031339 2.837298 -0.423237
N 0.996057 -2.661092 0.698354
C 1.457697 0.870269 -0.423078
C 2.700347 1.543384 0.215895
C 0.008144 -0.151650 1.368075
C -1.388387 0.126637 0.822989
C 1.552625 -1.594213 0.026685
C -2.081425 -0.873740 0.085527
C -2.029937 1.367066 1.036515
C 3.578870 2.688002 -1.787970
C 3.908890 3.670273 0.425945
C 2.616174 -1.791066 -0.918363
C -3.370248 -0.636863 -0.419483
C -3.329467 1.625193 0.536515
C -3.999237 0.615922 -0.195295
C 3.069489 -3.096962 -1.167448
C 1.468671 -3.911114 0.446882
C 2.494322 -4.195553 -0.479108
C -5.982000 2.017452 -0.534391
H 1.641502 0.615891 -1.482507
H 0.625905 1.596996 -0.414378
H 2.470458 1.738374 1.280712
H 3.564603 0.830045 0.198519
H 0.326816 0.686112 2.020060
H 0.009064 -1.080249 1.962806
H -1.596228 -1.842262 -0.079914
H -1.514508 2.150571 1.607160
H 4.537147 2.106995 -1.813611
H 3.774674 3.687026 -2.216227
H 2.851619 2.182602 -2.445911
H 4.919845 3.220758 0.599527
H 3.432727 3.830258 1.409573
H 4.053592 4.658192 -0.047433
H 3.083091 -0.946162 -1.430814
H -3.914198 -1.400692 -0.983847
H -3.796780 2.597199 0.721203
H 3.878261 -3.258393 -1.889300
H 0.989357 -4.716190 1.017538
H 2.828341 -5.222659 -0.648869
H -6.141240 2.218841 0.543297
H -6.953682 1.900245 -1.036506
H -5.426895 2.861318 -0.989426


