%chk=000056292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056292

0 1
 O  -0.9823000       2.102200     -0.7240000    
 O    1.599700       2.108000      0.4910000    
 N   -2.476600      0.1681000      0.7055000    
 N   -1.093800      0.2193000      0.6745000    
 N    2.888300     -0.2190000     -0.4805000    
 N    1.517100     -3.0500000E-02 -0.4756000    
 C   -2.943900      -1.116900      0.2030000    
 C   -2.538700      -1.292700      -1.257800    
 C   -4.457900      -1.205800      0.3663000    
 C    3.235400      -1.407200      0.2873000    
 C  -0.4832000       1.209000     -5.7799999E-02
 C    1.011100       1.145700      2.3900000E-02
 C    4.724700      -1.680200      0.2441000    
 H   -2.499600      -1.930900      0.7911000    
 H   -2.961400      -2.219500      -1.662100    
 H   -2.903500     -0.4664000      -1.878900    
 H   -1.452800      -1.359100      -1.380900    
 H   -4.747900      -1.105600       1.418200    
 H   -4.829200      -2.173400      1.1800000E-02
 H   -4.970300     -0.4213000     -0.2023000    
 H   -2.754600      0.2797000       1.680000    
 H  -0.5704000     -0.4648000       1.212600    
 H    2.930800      -1.277500       1.332900    
 H    2.705600      -2.284400     -0.1045000    
 H    3.167800     -0.3447000      -1.452900    
 H   0.9259000     -0.7601000     -0.8621000    
 H    5.066800      -1.853400     -0.7818000    
 H    5.293200     -0.8400000      0.6568000    
 H    4.964500      -2.571000      0.8338000    


%chk=000056292-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056292

0 1
O -0.312094 0.468996 -1.514202
O 0.921596 -0.277667 1.794902
N -2.767590 0.282624 0.068543
N -1.444819 0.149805 0.546838
N 3.368321 -0.186320 0.195288
N 2.055628 0.061332 -0.262536
C -3.668142 -0.849478 0.435482
C -3.234080 -2.127251 -0.306407
C -5.105352 -0.428505 0.072793
C 4.094593 -1.213263 -0.590192
C -0.343844 0.225257 -0.271485
C 0.953025 -0.030888 0.552953
C 5.533651 -1.336612 -0.063102
H -3.623046 -1.046522 1.536956
H -3.875864 -2.978461 -0.015106
H -3.309557 -1.973191 -1.396980
H -2.187865 -2.389524 -0.068990
H -5.424389 0.468729 0.637716
H -5.811866 -1.243172 0.307352
H -5.173110 -0.204613 -1.006656
H -3.156276 1.205264 0.314160
H -1.245415 -0.066648 1.538876
H 3.560313 -2.172279 -0.468357
H 4.111050 -0.978318 -1.683149
H 3.895276 0.692075 0.308216
H 1.855178 0.266750 -1.256652
H 6.095975 -0.392381 -0.195707
H 5.528240 -1.590014 1.010739
H 6.075263 -2.128126 -0.609694


