%chk=000024908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024908

1 1
 O   0.1959000      0.5482000      -1.070200    
 N    3.505500       1.375900      0.3249000    
 N   -1.064100      0.3380000     -0.4785000    
 N   -2.753500     -0.6508000      0.4437000    
 C    2.506000       1.061900     -0.6852000    
 C   -2.001900       1.322000     -0.2420000    
 C   -1.530500     -0.8435000     -6.0899999E-02
 C    1.146700      0.8355000     -4.3099999E-02
 C   -3.092600      0.6835000      0.3534000    
 C    4.806500       1.635500     -0.2964000    
 C    3.618700      0.2868000       1.298200    
 C  -0.8297000      -2.148600     -0.1366000    
 C   -1.983100       2.688400     -0.4956000    
 C   -4.240500       1.367200      0.7366000    
 C    4.715100       2.762500      -1.311200    
 C    4.609700      0.6329000       2.396500    
 C   -3.134600       3.391900     -0.1142000    
 C   -4.236400       2.747000      0.4870000    
 C   -1.090400      -3.117500      0.8205000    
 C   7.3500000E-02  -2.377600      -1.163300    
 C  -0.4317000      -4.345000      0.7492000    
 C   0.7320000      -3.605300      -1.234500    
 C   0.4794000      -4.588800     -0.2782000    
 H    2.785300      0.1828000      -1.281700    
 H    2.367000       1.883800      -1.396100    
 H   0.8289000       1.727200      0.5098000    
 H    1.138600     -2.3100000E-02  0.6313000    
 H    5.531400       1.970300      0.4527000    
 H    5.216100      0.7389000     -0.7785000    
 H    2.677000      0.1275000       1.829400    
 H    3.900000     -0.6620000      0.8246000    
 H   -3.353200      -1.374600      0.8307000    
 H   -1.132800       3.173100     -0.9578000    
 H   -5.078800      0.8605000       1.197000    
 H    4.236600       2.448900      -2.244100    
 H    4.182500       3.631200     -0.9092000    
 H    5.724400       3.096000      -1.578400    
 H    5.648600      0.5659000       2.059300    
 H    4.431200       1.633600       2.805000    
 H    4.505500     -7.9400003E-02   3.223100    
 H   -3.181100       4.464900     -0.2864000    
 H   -5.106600       3.338000      0.7644000    
 H   -1.792200      -2.939400       1.629900    
 H   0.2614000      -1.652400      -1.946700    
 H  -0.6274000      -5.110500       1.494400    
 H    1.434400      -3.799200      -2.039900    
 H   0.9909000      -5.545300     -0.3349000    


%chk=000024908-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024908

1 1
O 0.308611 0.282228 -1.184167
N 3.728891 1.101290 0.116785
N -0.977490 0.211633 -0.602059
N -2.767701 -0.548659 0.430358
C 2.712173 0.751832 -0.893206
C -1.860671 1.310210 -0.505139
C -1.524870 -0.921003 -0.038724
C 1.369888 0.710044 -0.148544
C -3.016720 0.815049 0.165251
C 4.555352 2.294356 -0.208671
C 4.484561 -0.060554 0.662656
C -0.948871 -2.257415 0.053335
C -1.757736 2.641839 -0.945336
C -4.123645 1.644978 0.427994
C 3.759244 3.611885 -0.168389
C 4.951496 0.145273 2.115743
C -2.865585 3.472489 -0.678632
C -4.023933 2.983791 -0.004973
C -1.362840 -3.123198 1.109167
C -0.013196 -2.724935 -0.915514
C -0.853987 -4.432896 1.188851
C 0.486517 -4.038940 -0.825672
C 0.069986 -4.895502 0.220986
H 2.910628 -0.225963 -1.381003
H 2.671555 1.512176 -1.693534
H 1.095798 1.704512 0.242135
H 1.376160 -0.041650 0.660767
H 5.363937 2.349248 0.540443
H 5.049011 2.180486 -1.204122
H 3.815312 -0.941850 0.627935
H 5.361751 -0.303802 0.015776
H -3.437727 -1.208250 0.826587
H -0.874566 3.006012 -1.475896
H -5.018896 1.278703 0.938490
H 2.948333 3.630920 -0.921096
H 3.313621 3.762426 0.830453
H 4.425746 4.465689 -0.386236
H 5.652007 0.993597 2.210170
H 4.089059 0.340895 2.776615
H 5.477318 -0.756967 2.477721
H -2.840002 4.517593 -1.000872
H -4.859847 3.665668 0.176909
H -2.045538 -2.767948 1.890814
H 0.295997 -2.073704 -1.737217
H -1.167752 -5.089581 2.005905
H 1.194078 -4.399758 -1.578489
H 0.462240 -5.915447 0.283644


