%chk=000100763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100763

0 1
 O    4.181800     -0.4321000      3.2499999E-02
 N    2.423400      -1.929200     -3.5500001E-02
 N    1.087100      -2.176200     -3.9200000E-02
 N    3.001200       2.885600      3.3900000E-02
 C   0.6896000      0.2685000      2.1500001E-02
 C   0.2847000      -1.165000     -4.1999999E-03
 C  -0.2948000       1.367500      1.8000000E-03
 C   -1.161700      -1.458300      5.7999999E-03
 C    2.014500      0.4921000      2.5900001E-02
 C    2.970100     -0.6569000      1.0400000E-02
 C  -0.7507000       1.868300      -1.215300    
 C  -0.7646000       1.899400       1.200300    
 C   -1.850100      -1.569700      -1.197000    
 C   -1.822600      -1.620300       1.218200    
 C    3.258000      -3.119100     -6.7299999E-02
 C   -1.681700       2.906900      -1.234200    
 C   -1.695600       2.937900       1.181600    
 C   -3.217200      -1.846500      -1.187300    
 C   -3.189700      -1.897300       1.228000    
 C   -2.154100       3.441700     -3.5700001E-02
 C   -3.886900      -2.010400      2.5200000E-02
 C    2.559200       1.813100      3.0400001E-02
 H  -0.3917000       1.461600      -2.157600    
 H  -0.4170000       1.516600       2.156700    
 H   -1.337100      -1.444800      -2.146900    
 H   -1.288100      -1.534100       2.160500    
 H    4.320400      -2.862700     -8.0100000E-02
 H    3.017900      -3.694500     -0.9662000    
 H    3.046000      -3.721000      0.8214000    
 H   -2.039000       3.298800      -2.181900    
 H   -2.063900       3.354000       2.114700    
 H   -3.760100      -1.934400      -2.123800    
 H   -3.711300      -2.024500       2.172100    
 H   -2.879200       4.250100     -5.0299998E-02
 H   -4.951400      -2.225700      3.2699998E-02


%chk=000100763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100763

0 1
O 4.257500 -0.552741 0.302189
N 2.380533 -1.881847 -0.195957
N 1.038308 -2.098842 -0.303757
N 3.156827 2.818677 0.692120
C 0.653847 0.285147 0.153858
C 0.183117 -1.068730 -0.114900
C -0.281735 1.447295 0.204905
C -1.256456 -1.465155 -0.177745
C 2.041239 0.469480 0.291523
C 3.004402 -0.640087 0.159479
C -1.195931 1.675430 -0.859555
C -0.249244 2.359830 1.292585
C -1.676488 -2.414671 -1.146893
C -2.205932 -0.972836 0.757095
C 3.224098 -3.073429 -0.423159
C -2.051400 2.795782 -0.837269
C -1.118351 3.471022 1.320260
C -3.018214 -2.847361 -1.194350
C -3.546363 -1.411135 0.711626
C -2.019592 3.695146 0.254502
C -3.960359 -2.344872 -0.266315
C 2.633003 1.759055 0.511166
H -1.228366 0.982054 -1.706337
H 0.445245 2.195486 2.123431
H -0.940597 -2.811045 -1.853843
H -1.899113 -0.259078 1.527731
H 4.274173 -2.764728 -0.324861
H 3.030592 -3.473421 -1.431372
H 2.983275 -3.845324 0.325867
H -2.742127 2.966060 -1.669933
H -1.085292 4.162588 2.168644
H -3.328231 -3.574727 -1.952638
H -4.265599 -1.026555 1.442871
H -2.688432 4.562540 0.272523
H -5.002935 -2.679606 -0.302389


