%chk=000155342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155342

0 1
 O   0.4074000      0.6856000     -6.6000000E-03
 O  -0.7602000       2.669200      1.6600000E-02
 N   -2.880800      -1.631800     -1.2600000E-02
 N    4.338800     -0.9306000       1.220900    
 N   -5.249500      -1.887900     -3.4000000E-03
 C    1.646000       1.403600     -4.1000000E-03
 C    2.781000      0.4222000     -1.7500000E-02
 C   -1.925300      0.5890000      2.0000001E-03
 C    3.309000     -2.6300000E-02  -1.215400    
 C  -0.7413000       1.430100      4.4999998E-03
 C   -3.199600       1.145200      1.3200000E-02
 C    3.316700     -4.7600001E-02   1.162900    
 C   -1.820800     -0.7926000     -1.0600000E-02
 C   -4.314700      0.3146000      1.1600000E-02
 C   -4.103300      -1.054700     -1.4000000E-03
 C    4.361100     -0.9352000      -1.196600    
 C    4.835600      -1.352600      3.6499999E-02
 H    1.703000       2.037300      0.8895000    
 H    1.696800       2.054600     -0.8854000    
 H    2.914100      0.3181000      -2.166700    
 H   -3.343600       2.222100      2.3700001E-02
 H    2.937300      0.2716000       2.128300    
 H  -0.8674000      -1.311100     -1.9800000E-02
 H   -5.312400      0.7415000      2.1100000E-02
 H    4.795600      -1.305600      -2.118000    
 H    5.654800      -2.060800      0.1055000    
 H   -5.090300      -2.887800     -1.9300001E-02
 H   -6.103500      -1.531700     -0.4146000    


%chk=000155342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155342

0 1
O 0.341106 0.682120 1.025054
O -0.071529 1.765158 -1.008560
N -3.344499 -1.202529 1.057795
N 4.538573 -1.174953 0.566876
N -5.441524 -1.639794 0.141667
C 1.694241 1.332998 1.069892
C 2.744127 0.495118 0.376311
C -1.763409 0.307564 -0.044689
C 2.948996 0.568923 -1.025863
C -0.454159 0.988844 -0.091673
C -2.699944 0.529521 -1.095769
C 3.569368 -0.387834 1.118904
C -2.145281 -0.571573 1.003815
C -3.943761 -0.108130 -1.066385
C -4.238648 -0.975224 0.035298
C 3.946655 -0.236935 -1.614790
C 4.711739 -1.091134 -0.786055
H 1.893887 1.418275 2.149777
H 1.608087 2.332804 0.609999
H 2.324868 1.236964 -1.628834
H -2.424795 1.202386 -1.914366
H 3.451965 -0.471928 2.207179
H -1.455001 -0.773921 1.828039
H -4.677687 0.049061 -1.863405
H 4.132891 -0.207314 -2.692957
H 5.493472 -1.733727 -1.207266
H -5.582172 -2.241681 0.951078
H -6.173064 -1.544659 -0.556774


