%chk=000097657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097657

0 1
 O   -2.034700     -0.6042000      0.3660000    
 O    1.831900     -0.7645000      0.2488000    
 O  -0.4593000     -0.9947000      -1.272700    
 O    2.222600       1.506000      0.2164000    
 O   -1.000400       2.735300      0.7403000    
 O  -0.3015000       2.159100      -1.268100    
 N  -0.4858000       1.939100     -6.0600001E-02
 C  -3.7000000E-02  0.6336000      0.4670000    
 C  -0.8368000     -0.4137000     -0.2631000    
 C    1.460100      0.5513000      0.2883000    
 C   -2.899000      -1.574500     -0.2341000    
 C    3.235800      -1.006200      0.1116000    
 C   -4.174500      -1.666500      0.5759000    
 C    3.478600      -2.500200      8.4200002E-02
 H  -0.2466000      0.5922000       1.541500    
 H   -3.133300      -1.269500      -1.260100    
 H   -2.398700      -2.549200     -0.2492000    
 H    3.594000     -0.5559000     -0.8209000    
 H    3.767700     -0.5602000      0.9593000    
 H   -4.860000      -2.400900      0.1440000    
 H   -3.954600      -1.953000       1.609700    
 H   -4.676800     -0.6943000      0.6155000    
 H    4.544300      -2.721500     -2.0900000E-02
 H    3.109000      -2.967500       1.002900    
 H    2.937300      -2.963100     -0.7476000    


%chk=000097657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097657

0 1
O -2.103317 -0.701493 0.274160
O 2.029444 -0.757689 0.437460
O -0.583575 -1.024796 -1.473239
O 1.989204 1.266730 -0.734817
O -0.150083 2.640767 1.336407
O -1.328636 2.175171 -0.563944
N -0.553032 1.859520 0.404227
C -0.017099 0.415753 0.462991
C -0.903341 -0.515390 -0.381994
C 1.441936 0.401529 -0.029828
C -3.145130 -1.499526 -0.460937
C 3.431403 -1.026562 -0.038892
C -4.382706 -1.527281 0.426367
C 3.837492 -2.377483 0.535186
H -0.059622 0.121925 1.523312
H -3.321824 -1.001357 -1.430571
H -2.727751 -2.504366 -0.650981
H 3.416832 -1.014263 -1.142892
H 4.070291 -0.198394 0.315712
H -5.183078 -2.101652 -0.074228
H -4.166054 -2.007681 1.395441
H -4.755020 -0.506596 0.615423
H 4.865595 -2.621318 0.211633
H 3.816301 -2.363072 1.637999
H 3.164070 -3.175477 0.180106


