%chk=000121578.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121578

0 1
 O    2.092800      -1.195900     -0.2259000    
 O    1.339200       2.261200      0.5040000    
 O    3.861400       1.397300      1.0500000E-02
 O   0.9346000     -0.5276000      -2.684600    
 N  -0.2043000     -0.5553000     -0.1130000    
 N   -1.873300      -1.980000      0.2363000    
 N   -1.430200       1.539700     -0.1438000    
 N   -3.816800       1.166800      0.2042000    
 N   -4.742400      -1.016200      0.5278000    
 C    1.180900     -6.8599999E-02 -0.3391000    
 C    1.605500      0.9005000      0.7837000    
 C    3.092400      0.6504000      0.9414000    
 C    1.352500      0.4711000      -1.771100    
 C    3.154500     -0.7900000      0.5705000    
 C   -1.329500      0.2065000     -3.4800000E-02
 C  -0.5750000      -1.858600      5.4099999E-02
 C   -2.357400     -0.6970000      0.1831000    
 C    4.072500      -1.660100       1.003000    
 C   -3.640500     -0.1727000      0.3040000    
 C   -2.717000       1.928600     -1.0300000E-02
 H    1.100300      0.6406000       1.723700    
 H    3.447800      0.8616000       1.954700    
 H    2.393300      0.7128000      -2.004500    
 H   0.7412000       1.360100      -1.951300    
 H   0.1225000      -2.684800      3.4499999E-02
 H    1.850900       2.522500     -0.2794000    
 H    3.835400       2.327300      0.2931000    
 H    4.030900      -2.704600      0.7133000    
 H    4.881800      -1.344400       1.652200    
 H    1.484800      -1.314800      -2.530800    
 H   -2.895000       2.996000     -8.4700003E-02
 H   -5.664600     -0.6112000      0.6132000    
 H   -4.613200      -2.016100      0.6037000    


%chk=000121578-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121578

0 1
O 2.037104 -1.073013 -0.326403
O 1.537811 2.396396 0.823751
O 3.897936 1.492063 0.145912
O 0.895444 -0.091928 -2.704337
N -0.205649 -0.418555 0.022150
N -1.801018 -1.862956 0.831434
N -1.720436 1.411106 -0.780204
N -4.089751 0.883632 -0.376472
N -4.795124 -1.125362 0.650705
C 1.132699 0.125908 -0.256015
C 1.703596 0.973083 0.951274
C 3.193031 0.537053 1.034505
C 1.195957 0.839884 -1.621020
C 3.185940 -0.872142 0.484823
C -1.447568 0.202041 -0.208685
C -0.487389 -1.649641 0.649913
C -2.410789 -0.710731 0.303026
C 4.099651 -1.852252 0.673430
C -3.780018 -0.325917 0.197338
C -3.060177 1.667987 -0.823329
H 1.163731 0.673266 1.864885
H 3.602985 0.593950 2.057810
H 2.207790 1.278598 -1.727878
H 0.425244 1.623727 -1.667244
H 0.303571 -2.345916 0.911169
H 2.317452 2.741377 0.307893
H 4.848883 1.237770 0.055669
H 3.995167 -2.833198 0.202584
H 4.965830 -1.680744 1.317961
H 1.493895 -0.878001 -2.604277
H -3.352724 2.622312 -1.271104
H -5.756407 -0.807273 0.548348
H -4.580668 -2.027422 1.070084


