%chk=000068793.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068793

0 1
 O    5.105400       1.690000     -0.5541000    
 O   -5.310500       1.601200      0.4065000    
 O    1.948100     -0.2693000      -1.159300    
 O   -2.055100      0.6448000       1.247600    
 N    4.047100     -0.1180000      0.5195000    
 N   -4.032200     -0.1526000     -0.5055000    
 N   0.5380000      0.8449000      0.3086000    
 N  -0.5509000      0.7248000     -0.5175000    
 C    4.288300      -1.532600      0.6782000    
 C   -4.092800      -1.594900     -0.5279000    
 C    5.777000      -1.658300      0.4235000    
 C   -5.553700      -1.882200     -0.2447000    
 C    6.077100     -0.5311000     -0.5573000    
 C   -5.993700     -0.7141000      0.6296000    
 C    5.050400      0.5201000     -0.2059000    
 C   -5.108100      0.4199000      0.1689000    
 C    2.814000      0.4951000      0.9635000    
 C   -2.886600      0.5660000      -1.019800    
 C    1.750100      0.3157000     -9.7099997E-02
 C   -1.812100      0.6305000      4.3299999E-02
 H    3.702000      -2.078000     -6.8000004E-02
 H    4.014300      -1.863400       1.683900    
 H   -3.778000      -1.983100      -1.500700    
 H   -3.440100      -1.983700      0.2604000    
 H    6.062300      -2.643000      4.2900000E-02
 H    6.328700      -1.485100       1.356200    
 H   -5.712000      -2.854600      0.2298000    
 H   -6.122900      -1.868700      -1.182800    
 H    5.915400     -0.8478000      -1.592400    
 H    7.091900     -0.1450000     -0.4359000    
 H   -5.793400     -0.9087000       1.687900    
 H   -7.049200     -0.4720000      0.4847000    
 H    2.499700      4.3800000E-02   1.909300    
 H    2.981700       1.568100       1.105300    
 H   -3.182300       1.593500      -1.256700    
 H   -2.533000      7.2800003E-02  -1.930200    
 H   0.4027000       1.329600       1.190100    
 H  -0.3781000      0.7463000      -1.517400    


%chk=000068793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068793

0 1
O 2.403231 0.370502 1.767935
O -3.773727 1.091074 -2.387970
O 1.780250 -3.290952 -0.921256
O -1.290694 0.082445 0.764616
N 3.895908 -0.880747 0.460844
N -3.766171 -0.379202 -0.545789
N 0.913745 -1.547027 0.328986
N -0.303681 -1.690097 -0.351627
C 4.980571 -0.684249 -0.527885
C -4.398937 -0.528524 0.782535
C 5.492000 0.750666 -0.197972
C -5.682723 0.342591 0.653554
C 4.288210 1.449511 0.490398
C -5.326974 1.391124 -0.431485
C 3.421629 0.299781 1.007673
C -4.223044 0.727102 -1.264220
C 3.251291 -2.171502 0.743181
C -2.601567 -1.126664 -0.978398
C 1.937841 -2.392499 -0.027586
C -1.361454 -0.839678 -0.101260
H 4.584995 -0.758770 -1.560313
H 5.764365 -1.452519 -0.404593
H -4.629128 -1.590634 0.988539
H -3.716349 -0.156018 1.569446
H 5.832815 1.278482 -1.102938
H 6.343112 0.688437 0.501745
H -5.961832 0.797998 1.617520
H -6.527135 -0.282011 0.312379
H 3.683208 2.047858 -0.216412
H 4.574295 2.116803 1.319298
H -4.910858 2.318083 0.006130
H -6.173966 1.678258 -1.074864
H 3.933136 -2.989366 0.463634
H 3.048982 -2.221495 1.829535
H -2.395352 -0.800023 -2.018018
H -2.809807 -2.215575 -0.990550
H 1.014297 -0.763343 1.005472
H -0.280980 -2.448920 -1.043782


