%chk=000112288.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112288

0 1
 O    4.094800       2.088500      7.5800002E-02
 N    1.420200     -0.4680000      0.1428000    
 N   -4.653000      0.7422000     -0.6936000    
 C   -1.022800     -0.2799000      5.7999998E-02
 C   0.3125000      0.3415000     -0.3509000    
 C   -2.200600      0.5701000     -0.4348000    
 C   -3.569700     -5.1500000E-02 -0.1121000    
 C    2.702500      0.1527000     -0.1943000    
 C    1.352800      -1.823500     -0.4058000    
 C   -3.768300     -0.1602000       1.399400    
 C    2.822500       1.543700      0.4011000    
 C    2.509100      -2.655600      0.1144000    
 H   -1.051700     -0.3823000       1.148300    
 H   -1.165600      -1.272400     -0.3788000    
 H   0.3567000      0.4606000      -1.441300    
 H   0.3156000       1.341300      9.2399999E-02
 H   -2.133900       1.575200      2.0000001E-03
 H   -2.112900      0.6950000      -1.522400    
 H   -3.619800      -1.057500     -0.5456000    
 H    2.856000      0.1980000      -1.281100    
 H    3.549400     -0.4115000      0.2109000    
 H   0.4569000      -2.347100     -6.1900001E-02
 H    1.349500      -1.829400      -1.502700    
 H   -3.076900     -0.8806000       1.846500    
 H   -4.779400     -0.5130000       1.634500    
 H   -3.628800      0.8066000       1.895600    
 H    2.734500       1.519500       1.492100    
 H    2.091600       2.254100      9.3999999E-03
 H    3.453600      -2.426700     -0.3891000    
 H    2.641400      -2.547600       1.196600    
 H    2.310700      -3.716200     -8.0200002E-02
 H   -5.547100      0.2867000     -0.5151000    
 H   -4.545500      0.7782000      -1.706500    
 H    4.158100       2.130300     -0.8937000    


%chk=000112288-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112288

0 1
O 4.033346 2.160787 0.640137
N 1.481096 -0.512756 -0.260821
N -4.745042 0.522702 -0.674906
C -1.023185 -0.271759 -0.010359
C 0.252500 0.150374 -0.770703
C -2.291474 0.397843 -0.583399
C -3.612357 -0.077476 0.069811
C 2.696857 0.321946 -0.394229
C 1.649274 -1.902073 -0.761988
C -3.723473 0.342966 1.549720
C 2.829323 1.322092 0.773589
C 2.484508 -2.784967 0.184469
H -0.886403 -0.011737 1.055733
H -1.137929 -1.374369 -0.053168
H 0.111851 -0.037836 -1.866504
H 0.377949 1.244774 -0.659586
H -2.234090 1.499655 -0.477507
H -2.344814 0.189779 -1.674837
H -3.619013 -1.197719 0.031694
H 2.718603 0.881273 -1.366614
H 3.591885 -0.324831 -0.386277
H 0.641475 -2.346066 -0.858965
H 2.099331 -1.913853 -1.787335
H -2.921856 -0.109559 2.159036
H -4.691456 0.020469 1.979774
H -3.661719 1.443191 1.632129
H 2.965033 0.776435 1.719767
H 1.916999 1.949759 0.859904
H 3.509962 -2.394030 0.314604
H 2.009540 -2.827935 1.179956
H 2.567130 -3.812726 -0.216277
H -5.663066 0.339567 -0.255286
H -4.737078 0.317465 -1.680189
H 3.968694 2.679815 -0.201475


