%chk=000057839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057839

0 1
 O   -1.725200       3.026900     -0.5334000    
 N    1.024300      0.8284000      0.6696000    
 N    1.082200       3.127100     -5.4900002E-02
 N   -4.224100      -2.697000     -0.2135000    
 C    3.069800     -0.5780000       1.103200    
 C    3.446200      -1.121200      -1.024400    
 C    2.415600      0.5890000      0.3263000    
 C    4.292000     -0.8524000      0.2210000    
 C    2.615300      0.1711000      -1.144800    
 C    2.282100      -1.890200      0.9336000    
 C    2.524000      -2.252500     -0.5386000    
 C   0.3809000       1.844300     -0.1727000    
 C   -1.091500       2.029800      0.2729000    
 C   -1.925200      0.7702000      0.1435000    
 C   -2.574500      0.2758000       1.259500    
 C   -2.016800      0.1475000      -1.087700    
 C   -3.342400     -0.8825000       1.140300    
 C   -2.784800      -1.010700      -1.207000    
 C   -3.447700      -1.525800     -9.3000002E-02
 H    3.293900     -0.3383000       2.145300    
 H    4.002700      -1.369300      -1.930200    
 H    3.017400       1.483800      0.5327000    
 H    4.873000      -1.722400      0.5450000    
 H    4.955400      1.2300000E-02  0.1145000    
 H    3.171300      0.9479000      -1.682500    
 H    1.693600     -2.8999999E-02  -1.699900    
 H    1.217400      -1.790100       1.164000    
 H    2.692600      -2.672200       1.583000    
 H    3.027100      -3.223500     -0.6091000    
 H    1.590500      -2.310500      -1.107200    
 H   0.9542000       1.098400       1.650000    
 H   0.3927000       1.567700      -1.230900    
 H   -1.126700       2.390600       1.310000    
 H   0.5962000       3.835700     -0.6028000    
 H    2.007000       3.052800     -0.4754000    
 H   -1.369200       3.890600     -0.2651000    
 H   -2.499800      0.7676000       2.224800    
 H   -1.517700      0.5401000      -1.968200    
 H   -3.853900      -1.274200       2.015800    
 H   -2.860900      -1.501400      -2.174000    
 H   -4.301400      -3.163500      -1.107500    
 H   -4.705500      -3.070500      0.5938000    


%chk=000057839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057839

0 1
O -1.689661 3.209400 -0.129720
N 1.197059 1.035126 0.598711
N 0.850313 3.248661 -0.569422
N -4.396495 -2.574156 -1.004482
C 3.359719 -0.158733 1.168426
C 3.302465 -1.621550 -0.582525
C 2.519222 0.609018 0.099053
C 4.389797 -0.883795 0.254725
C 2.430563 -0.430289 -1.085440
C 2.534256 -1.356078 1.730923
C 2.508723 -2.371179 0.528557
C 0.359327 1.852788 -0.268867
C -1.086679 1.981456 0.363877
C -1.968475 0.781289 0.028053
C -1.746383 -0.488458 0.617731
C -3.028952 0.908701 -0.901791
C -2.541527 -1.602066 0.279878
C -3.833334 -0.195290 -1.248277
C -3.600837 -1.473329 -0.664258
H 3.782656 0.499775 1.947930
H 3.670124 -2.277279 -1.389201
H 3.124899 1.487074 -0.233852
H 5.052299 -1.569441 0.812726
H 5.008966 -0.190114 -0.343753
H 2.832262 -0.008760 -2.025338
H 1.383781 -0.737484 -1.259778
H 1.518783 -1.047789 2.031204
H 3.037732 -1.787939 2.615237
H 3.006022 -3.322195 0.794917
H 1.479626 -2.606294 0.203345
H 1.209952 1.368537 1.571744
H 0.259604 1.351397 -1.248001
H -0.956748 2.048407 1.471852
H 1.380585 3.341236 -1.441303
H 1.338013 3.692178 0.219269
H -0.880405 3.726041 -0.469311
H -0.928420 -0.611372 1.337050
H -3.219316 1.896928 -1.331031
H -2.349684 -2.575048 0.750549
H -4.654358 -0.069899 -1.966255
H -5.164893 -2.475714 -1.660639
H -4.240478 -3.481357 -0.576515


