%chk=000096462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096462

0 1
 O   -1.275400     -0.2877000      1.0800000E-02
 O   -2.458000      -2.262400     -2.4800001E-02
 N   -4.539500       2.026100      8.2000000E-03
 C    3.607600      0.2959000      8.7899998E-02
 C    4.992800     -0.3562000      5.4699998E-02
 C    2.458500     -0.7126000      2.2800000E-02
 C    6.141700      0.6546000      4.5499999E-02
 C    1.102800     -7.8999996E-03  3.5700001E-02
 C    7.496000     -4.8099998E-02 -6.1099999E-02
 C  -4.8200000E-02  -1.003800      1.2800000E-02
 C    8.640100      0.9520000     -0.1093000    
 C   -2.409200      -1.042200     -8.8999998E-03
 C   -3.617000     -0.1788000     -1.0300000E-02
 C   -4.866700     -0.7498000     -3.0200001E-02
 C   -3.482200       1.183600      8.2999999E-03
 C   -5.979300      8.4299996E-02 -3.0900000E-02
 C   -5.763800       1.452900     -1.1400000E-02
 H    3.516100      0.8945000       1.002700    
 H    3.521200      0.9922000     -0.7556000    
 H    5.064400     -0.9890000     -0.8388000    
 H    5.099000      -1.020200      0.9215000    
 H    2.527900      -1.398600      0.8756000    
 H    2.550800      -1.316900     -0.8876000    
 H    6.017100       1.340700     -0.8010000    
 H    6.106600       1.259000      0.9598000    
 H    1.017600      0.6673000     -0.8250000    
 H    1.012700      0.6278000      0.9255000    
 H    7.524800     -0.6680000     -0.9648000    
 H    7.636400     -0.7168000      0.7961000    
 H  -3.5000001E-03  -1.649400      0.8978000    
 H   1.2100000E-02  -1.625700     -0.8881000    
 H    8.659400       1.569500      0.7945000    
 H    8.546500       1.614000     -0.9761000    
 H    9.598400      0.4284000     -0.1836000    
 H   -5.009500      -1.825800     -4.5200001E-02
 H   -2.527000       1.696400      2.4499999E-02
 H   -6.983500     -0.3238000     -4.6300001E-02
 H   -6.598200       2.146500     -1.1100000E-02


%chk=000096462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096462

0 1
O -1.311970 -0.225788 0.002467
O -2.477527 -2.246265 -0.006323
N -4.777959 2.061544 0.025369
C 3.669309 0.324044 -0.001060
C 5.049937 -0.369476 -0.019606
C 2.490613 -0.674713 -0.014093
C 6.234617 0.622181 -0.003050
C 1.110298 0.023434 0.001078
C 7.614340 -0.074525 -0.019872
C -0.029054 -0.994029 -0.005974
C 8.793688 0.921445 -0.002265
C -2.477749 -0.989011 0.000476
C -3.704973 -0.141055 0.009733
C -4.971983 -0.778480 0.010752
C -3.660840 1.278541 0.017242
C -6.133665 0.018540 0.019126
C -5.989568 1.426541 0.026202
H 3.594481 0.969103 0.898980
H 3.586839 1.001069 -0.876590
H 5.124440 -1.012943 -0.921282
H 5.130087 -1.049848 0.854111
H 2.575491 -1.349872 0.862910
H 2.570145 -1.320519 -0.913377
H 6.158529 1.301785 -0.877710
H 6.162431 1.267471 0.897597
H 1.014030 0.685914 -0.880373
H 1.022588 0.664501 0.899112
H 7.685672 -0.718211 -0.920479
H 7.689031 -0.754523 0.853362
H -0.012966 -1.651256 0.883292
H -0.015610 -1.635576 -0.906703
H 8.762895 1.556440 0.903351
H 8.759110 1.592250 -0.881515
H 9.767440 0.398281 -0.014850
H -5.015053 -1.872485 0.004936
H -2.698643 1.798758 0.016631
H -7.130424 -0.432504 0.020212
H -6.868529 2.081239 0.032782


