%chk=000148343.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148343

0 1
 O   -1.383600       3.019500     -0.2911000    
 O   -3.574800      -2.721300     -2.9000000E-03
 N  -0.5736000      0.3587000      0.3105000    
 N   0.9235000      6.8000001E-03   1.885700    
 N   0.7878000      0.1026000      -1.678200    
 N    3.097800     -0.4069000      -1.077700    
 N    3.820100     -0.6075000       1.194900    
 C   -1.879900      0.6514000     -0.3031000    
 C   -2.945600     -0.4095000      3.2699998E-02
 C   -2.372000       2.059700      6.5600000E-02
 C   0.5757000      0.1233000     -0.3537000    
 C   -2.537200      -1.822300     -0.3728000    
 C  -0.3400000      0.2842000       1.640600    
 C    1.507500     -9.6600004E-02  0.6482000    
 C    2.810900     -0.3704000      0.2459000    
 C    2.083400     -0.1717000      -1.944700    
 H   -1.709800      0.6326000      -1.387800    
 H   -3.889300     -0.1563000     -0.4676000    
 H   -3.174100     -0.3990000       1.106500    
 H   -2.559700       2.154500       1.140000    
 H   -3.298700       2.305100     -0.4635000    
 H   -1.622600      -2.141700      0.1346000    
 H   -2.386700      -1.887600      -1.455000    
 H   -1.102700      0.4342000       2.392600    
 H   -1.239000       2.948100      -1.250100    
 H    2.348900     -0.2090000      -2.995800    
 H   -3.293300      -3.610400     -0.2781000    
 H    3.608400     -0.5813000       2.183300    
 H    4.759500     -0.8048000      0.8777000    


%chk=000148343-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148343

0 1
O -1.345186 2.286980 -1.907415
O -4.260918 -2.301057 0.961338
N -0.569881 -0.066869 0.166705
N 0.958102 -0.991330 1.628107
N 1.028541 1.133575 -1.328274
N 3.364840 0.801097 -0.665985
N 3.988927 -0.496903 1.205703
C -1.869957 0.276825 -0.502499
C -3.065207 -0.344006 0.253199
C -2.000463 1.821246 -0.700713
C 0.698989 0.327552 -0.271720
C -3.232577 -1.852101 0.010176
C -0.344966 -0.851261 1.315189
C 1.624160 -0.254932 0.634133
C 3.006386 0.008376 0.401881
C 2.377621 1.313756 -1.455304
H -1.823958 -0.148361 -1.526914
H -3.987972 0.158556 -0.085913
H -2.994644 -0.156011 1.340920
H -1.633112 2.338704 0.214297
H -3.068789 2.066167 -0.831157
H -2.279201 -2.397359 0.175127
H -3.551680 -2.028152 -1.039277
H -1.155415 -1.286818 1.892288
H -0.368466 1.989992 -1.876290
H 2.705229 1.949493 -2.282364
H -4.462050 -3.258548 0.810025
H 3.742026 -1.080507 2.002475
H 4.960520 -0.273701 0.998964


