%chk=000077023.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077023

0 1
 O    2.707300     -0.6016000      2.1900000E-02
 N   -2.726100      0.5793000     -7.9000004E-02
 N   -3.680400     -0.3802000      0.1661000    
 C   -1.348100      0.2795000     -5.3100001E-02
 C    1.377500     -0.3126000     -2.7999999E-03
 C  -0.4108000       1.311800     -1.6700000E-02
 C  -0.9227000      -1.048900     -6.4300001E-02
 C   0.9521000       1.015700      8.2999999E-03
 C   0.4402000      -1.344900     -3.9099999E-02
 C    3.611000      0.5019000      5.8800001E-02
 H  -0.7305000       2.350800     -7.7999998E-03
 H   -1.623100      -1.878800     -9.9699996E-02
 H    1.625600       1.865400      3.5900000E-02
 H   0.7662000      -2.381400     -4.9500000E-02
 H   -2.999300       1.553200     -1.1800000E-02
 H    3.491000       1.089900      0.9750000    
 H    3.531000       1.117900     -0.8434000    
 H    4.624900      8.8900000E-02  7.4800000E-02
 H   -4.552300     -9.0800002E-02 -0.2749000    
 H   -3.867000     -0.4056000       1.167700    


%chk=000077023-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077023

0 1
O 2.682056 -0.653642 -0.023903
N -2.810875 0.740427 0.168909
N -3.859715 -0.189061 0.099743
C -1.442433 0.405461 0.113656
C 1.336425 -0.226551 0.021948
C -0.461379 1.434091 0.087011
C -1.005642 -0.950417 0.092565
C 0.915201 1.126203 0.042463
C 0.367404 -1.256979 0.047311
C 3.706653 0.387062 -0.054365
H -0.777205 2.485078 0.102630
H -1.739107 -1.763033 0.114744
H 1.640465 1.945663 0.023109
H 0.709907 -2.296652 0.031282
H -3.091162 1.718263 0.114113
H 3.670413 1.021072 0.854389
H 3.608219 1.029033 -0.952874
H 4.665887 -0.150894 -0.089722
H -3.886092 -0.733767 -0.772027
H -3.962520 -0.761856 0.945418


