%chk=000096357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096357

0 1
 O   0.2335000       1.021600      4.0899999E-02
 O    1.463500     -0.4134000      -1.281400    
 N    4.684900     -0.6445000      0.1112000    
 C   -1.005900      0.4249000     -0.3256000    
 C   -1.116600     -0.9598000      0.3112000    
 C   -2.158300       1.333600      9.9500000E-02
 C   -2.470900      -1.601300      2.7600000E-02
 C   -3.512700      0.6923000     -0.1841000    
 C   -3.622700     -0.6923000      0.4503000    
 C    1.359000      0.3230000     -0.3097000    
 C    2.449300      0.6080000      0.6937000    
 C    3.696800     -9.2200004E-02  0.3663000    
 H   -1.034900      0.3307000      -1.419700    
 H  -0.9644000     -0.8784000       1.395700    
 H  -0.3331000      -1.636200     -4.6100002E-02
 H   -2.081200       2.297100     -0.4184000    
 H   -2.070400       1.564100       1.169300    
 H   -2.544600      -2.558100      0.5566000    
 H   -2.553700      -1.820800      -1.043900    
 H   -3.657000      0.6090000      -1.268300    
 H   -4.313200       1.336800      0.1962000    
 H   -4.577000      -1.151700      0.1692000    
 H   -3.625400     -0.5926000       1.542700    
 H    2.098600      0.2911000       1.681500    
 H    2.629300       1.688100      0.7100000    


%chk=000096357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096357

0 1
O 0.311908 0.621978 0.473339
O 1.524302 -0.586942 -1.124782
N 5.039052 0.181181 -0.438204
C -0.999089 0.144742 -0.112536
C -1.365018 -1.223567 0.487252
C -2.034401 1.226940 0.215824
C -2.764922 -1.660738 -0.016894
C -3.434379 0.788984 -0.285964
C -3.836496 -0.588599 0.295639
C 1.474686 0.168919 -0.134622
C 2.672002 0.767701 0.622975
C 3.971924 0.435762 0.026560
H -0.851568 0.048407 -1.205997
H -1.376513 -1.137929 1.591969
H -0.602115 -1.974163 0.211282
H -1.735147 2.186725 -0.244306
H -2.060040 1.378692 1.312811
H -3.036763 -2.628036 0.445747
H -2.723624 -1.832071 -1.112081
H -3.428144 0.730309 -1.393886
H -4.180844 1.557882 -0.011941
H -4.817394 -0.901522 -0.110148
H -3.956022 -0.500571 1.395159
H 2.635949 0.409653 1.669177
H 2.545556 1.865265 0.668329


