%chk=000178032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178032

0 1
 O    3.001000     -0.6899000      7.1000002E-02
 N   -2.346500     -0.8836000     -0.7571000    
 N    1.626400     -0.8343000     -0.1613000    
 N    2.780600       2.252900      4.0199999E-02
 C   -1.144400      0.7858000      0.8357000    
 C  -0.3818000      0.6354000     -0.4948000    
 C   -1.306700     -0.5965000       1.494000    
 C   -2.557600       1.280400      0.4825000    
 C   -1.062500     -0.4461000      -1.353500    
 C   -2.060700      -1.535300      0.5391000    
 C   -3.199700      0.3019000     -0.5164000    
 C    1.064800      0.3251000     -0.2533000    
 C    2.015500       1.390300     -9.0400003E-02
 C    3.571700      -1.986100      0.1643000    
 H  -0.6452000       1.481600       1.518600    
 H  -0.4251000       1.591600      -1.034900    
 H  -0.3321000      -1.022300       1.755100    
 H   -1.868100     -0.4975000       2.431100    
 H   -3.170500       1.348500       1.389300    
 H   -2.511600       2.284800      4.5299999E-02
 H   -1.261200     -3.7400000E-02  -2.353200    
 H  -0.4288000      -1.322900      -1.531100    
 H   -1.475000      -2.448300      0.3742000    
 H   -2.998500      -1.868100       1.001400    
 H   -4.181100     -1.7999999E-02 -0.1447000    
 H   -3.398200      0.8126000      -1.467100    
 H    3.126700      -2.538700      0.9976000    
 H    4.644400      -1.880100      0.3462000    
 H    3.426300      -2.534100     -0.7718000    


%chk=000178032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178032

0 1
O 3.040151 -0.811962 0.121195
N -2.287674 -0.941956 -0.705749
N 1.643216 -0.792340 -0.245675
N 2.518552 2.594373 0.441759
C -1.170457 0.855033 0.804703
C -0.329981 0.663139 -0.511812
C -1.273317 -0.491275 1.570088
C -2.594447 1.319860 0.392323
C -1.017814 -0.495052 -1.339171
C -1.994974 -1.531919 0.636814
C -3.212900 0.221248 -0.549493
C 1.144430 0.434932 -0.205774
C 1.924088 1.596121 0.154426
C 3.536810 -2.197898 0.013403
H -0.692888 1.621941 1.441403
H -0.393165 1.616843 -1.073157
H -0.267684 -0.847139 1.858574
H -1.842847 -0.332720 2.504845
H -3.208616 1.454261 1.302654
H -2.543686 2.301676 -0.115831
H -1.244787 -0.143029 -2.361311
H -0.345426 -1.364899 -1.415586
H -1.368999 -2.428322 0.482921
H -2.954263 -1.863637 1.073542
H -4.169550 -0.156671 -0.146203
H -3.416368 0.628006 -1.556888
H 2.978534 -2.863484 0.694180
H 4.593599 -2.133596 0.315606
H 3.452562 -2.559834 -1.025784


