%chk=000058696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058696

0 1
 O   -6.051500      0.2316000     -0.3180000    
 N    3.762000      0.3563000      0.1609000    
 N   0.2558000     -0.9155000     -6.1299998E-02
 C    2.355700      0.3348000     -0.2405000    
 C    4.466100     -0.8192000     -0.3704000    
 C    4.403200       1.603400     -0.2789000    
 C    1.666100     -0.9031000      0.3251000    
 C    5.927300     -0.8378000      8.1100002E-02
 C    5.862400       1.664000      0.1758000    
 C    6.645000      0.4492000     -0.3094000    
 C  -0.4019000      -2.142400      0.4050000    
 C  -0.4347000      0.2691000      0.4783000    
 C   -1.813000      -2.233400     -0.1852000    
 C   -1.926500      0.2541000      0.2355000    
 C   -2.592800     -0.9528000     -3.8199998E-02
 C   -2.664200       1.440300      0.3462000    
 C   -3.980000     -0.9499000     -0.2336000    
 C   -4.703200      0.2382000     -0.1321000    
 C   -4.046300       1.431500      0.1595000    
 C   -6.729400       1.481500     -0.1998000    
 H    2.251000      0.3714000      -1.333100    
 H    1.908300       1.245500      0.1682000    
 H    4.416000     -0.8475000      -1.466800    
 H    4.049600      -1.756500      6.3999998E-03
 H    3.879000       2.465500      0.1513000    
 H    4.354100       1.703800      -1.371200    
 H    1.781900     -0.9480000       1.416200    
 H    2.100200      -1.814400     -9.4899997E-02
 H    6.442600      -1.696400     -0.3644000    
 H    5.974900     -0.9660000       1.170200    
 H    5.904100       1.712000       1.271400    
 H    6.330200       2.580100     -0.2022000    
 H    7.656000      0.4594000      0.1126000    
 H    6.750000      0.4932000      -1.400500    
 H  -0.4472000      -2.167500       1.502300    
 H   0.1561000      -3.030500      8.3499998E-02
 H  -7.3299997E-02   1.171600     -2.4300000E-02
 H  -0.2647000      0.3719000       1.558200    
 H   -2.349000      -3.053700      0.3069000    
 H   -1.747000      -2.470600      -1.254900    
 H   -2.164300       2.377200      0.5796000    
 H   -4.498100      -1.877500     -0.4658000    
 H   -4.547100       2.388600      0.2573000    
 H   -7.792600       1.290700     -0.3789000    
 H   -6.399100       2.192600     -0.9647000    
 H   -6.644400       1.891200      0.8125000    


%chk=000058696-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058696

0 1
O -6.194710 0.071666 -0.389374
N 3.907307 0.268427 0.049282
N 0.227140 -0.772222 0.147571
C 2.457994 0.320068 -0.268953
C 4.603572 -0.848810 -0.639939
C 4.594789 1.560158 -0.208687
C 1.654889 -0.721743 0.543095
C 6.065644 -0.973247 -0.165039
C 6.056725 1.518895 0.282103
C 6.825757 0.354803 -0.383869
C -0.458607 -2.003700 0.610775
C -0.516278 0.439103 0.567161
C -1.803959 -2.154545 -0.120844
C -2.013780 0.350884 0.292271
C -2.641873 -0.888457 -0.013831
C -2.808470 1.516504 0.368772
C -4.036030 -0.930021 -0.230368
C -4.818102 0.245088 -0.151974
C -4.203450 1.485438 0.150445
C -7.042418 1.262188 -0.322393
H 2.252492 0.157209 -1.355834
H 2.099540 1.336614 -0.020783
H 4.589607 -0.697068 -1.753334
H 4.063167 -1.790649 -0.435011
H 4.041629 2.359146 0.320154
H 4.584798 1.814924 -1.302998
H 1.788513 -0.498303 1.631695
H 2.084408 -1.724873 0.364336
H 6.560376 -1.800997 -0.709324
H 6.068646 -1.229208 0.912167
H 6.056818 1.380611 1.380768
H 6.546569 2.487675 0.063804
H 7.853930 0.286600 0.019434
H 6.916941 0.550056 -1.472862
H -0.628052 -1.993099 1.718905
H 0.191003 -2.868655 0.384098
H -0.104117 1.314745 0.031894
H -0.360853 0.634861 1.664524
H -2.363233 -3.020099 0.283546
H -1.597553 -2.365762 -1.188385
H -2.331059 2.476815 0.602976
H -4.538246 -1.875284 -0.464254
H -4.784371 2.410158 0.215509
H -8.060090 0.903628 -0.537234
H -6.744709 2.013758 -1.079970
H -7.014997 1.722721 0.684878


