%chk=000043892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043892

2 1
 O   -1.360400      -1.034500      0.6118000    
 O    1.350500      -1.062100     -0.4711000    
 N   -5.899800     -3.0900000E-02  0.1033000    
 N    5.892600     -3.9900001E-02 -0.1594000    
 N   -2.296500      0.6626000     -0.6696000    
 N    2.316700      0.7051000      0.6865000    
 C   -4.546100      0.5370000      0.3190000    
 C    4.533700      0.5196000     -0.3632000    
 C   -6.852100      0.3845000       1.233300    
 C   -5.847700      -1.564500      6.3199997E-02
 C   -6.492400      0.4610000      -1.224600    
 C    6.527200      0.5212000       1.120900    
 C    5.839700      -1.568900     -3.4800000E-02
 C    6.809800      0.3109000      -1.339300    
 C   -3.620600      9.7499996E-02 -0.8002000    
 C    3.642800      0.1441000      0.8062000    
 C   3.0000001E-04  0.8657000      3.6100000E-02
 C   -1.272800      4.4199999E-02  2.9899999E-02
 C    1.275100      4.7400001E-02  5.2099999E-02
 H   -4.630800       1.630100      0.3558000    
 H   -4.177600      0.1944000       1.293800    
 H    4.618700       1.608900     -0.4617000    
 H    4.134700      0.1260000      -1.306200    
 H   -7.837900     -4.9500000E-02   1.041700    
 H   -6.908600       1.476900       1.245100    
 H   -6.443800      9.8000001E-03   2.176300    
 H   -5.377700      -1.898000     -0.8650000    
 H   -6.875900      -1.939400      9.0899996E-02
 H   -5.295700      -1.914700      0.9403000    
 H   -7.547900      0.1713000      -1.252600    
 H   -5.976400     -1.2900000E-02  -2.062800    
 H   -6.400300       1.550300      -1.261900    
 H    6.437900       1.611200       1.102000    
 H    7.582600      0.2300000       1.131800    
 H    6.036900      9.4899997E-02   1.999100    
 H    5.398800      -1.850400      0.9244000    
 H    6.866000      -1.948000     -7.4500002E-02
 H    5.259900      -1.964300     -0.8739000    
 H    7.800400     -0.1150000      -1.155200    
 H    6.867300       1.400900      -1.412000    
 H    6.371800     -0.1131000      -2.247600    
 H   -3.963700      0.4317000      -1.782300    
 H   -3.494300     -0.9879000     -0.8325000    
 H    4.016900      0.5307000       1.757200    
 H    3.517300     -0.9377000      0.9023000    
 H   -2.130200       1.568900      -1.097200    
 H    2.161500       1.633500       1.068400    
 H   4.4199999E-02   1.507800     -0.8512000    
 H  -4.3299999E-02   1.515200      0.9182000    


%chk=000043892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043892

2 1
O -2.439131 0.730689 1.925242
O 1.112372 0.022399 -0.380340
N -5.453159 0.023387 -0.245429
N 5.389117 -0.034797 -0.575129
N -1.647370 -0.009153 -0.124039
N 2.223819 0.435493 1.603048
C -4.024545 0.424945 -0.682153
C 4.227307 0.648753 0.184489
C -6.360578 1.237766 -0.467964
C -5.493565 -0.345358 1.247644
C -5.966038 -1.145186 -1.084938
C 6.411646 -0.625665 0.397291
C 4.861402 -1.134459 -1.501998
C 6.078475 1.036487 -1.429660
C -2.932858 -0.654077 -0.432282
C 3.428447 -0.274289 1.140941
C -0.105548 1.237021 1.393147
C -1.485007 0.616598 1.093114
C 1.102005 0.514563 0.799847
H -4.088024 0.692789 -1.750738
H -3.781118 1.325010 -0.097394
H 4.668262 1.494703 0.739315
H 3.543219 1.038753 -0.587320
H -7.402265 0.949988 -0.259886
H -6.269266 1.575573 -1.511705
H -6.053575 2.042381 0.217223
H -5.163847 -1.385558 1.380935
H -6.531461 -0.247278 1.599575
H -4.817199 0.324416 1.800809
H -6.966884 -1.430583 -0.726464
H -5.282853 -2.000545 -0.977971
H -6.022699 -0.836826 -2.140367
H 6.772993 0.168775 1.068131
H 7.254739 -1.034541 -0.180122
H 5.945100 -1.432950 0.980067
H 4.490750 -1.979412 -0.905160
H 5.686174 -1.477363 -2.144731
H 4.046330 -0.724785 -2.117080
H 6.911560 0.574548 -1.980830
H 6.463296 1.831673 -0.773205
H 5.348975 1.455437 -2.139442
H -2.796570 -1.296390 -1.316868
H -3.217344 -1.295549 0.421622
H 4.021255 -0.560123 2.024942
H 3.100453 -1.187891 0.615501
H -0.813679 -0.131237 -0.720837
H 2.196990 0.803520 2.556060
H -0.117940 2.268715 0.986169
H -0.041363 1.331236 2.489740


