%chk=000036129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036129

0 1
 O    2.074500     -0.6162000      -1.104000    
 N  -0.9716000      0.2080000      0.1595000    
 N    1.879500     -0.5253000       1.122700    
 N    2.937700      -1.361900      0.8204000    
 C   -2.095600       1.111800     -0.1232000    
 C   -1.186500      -1.113000     -0.4475000    
 C   0.2842000      0.7902000     -0.3131000    
 C   -3.410500      0.5399000      0.4088000    
 C   -2.471800      -1.757600      7.4000001E-02
 C   -3.677200     -0.8523000     -0.1521000    
 C   0.4675000       2.195600      0.2917000    
 C    1.446200     -0.1455000     -2.0099999E-02
 C    1.709000       2.911800     -0.2274000    
 C    3.014500      -1.385400     -0.4897000    
 H   -2.184500       1.317100      -1.197800    
 H   -2.009600       2.065200      0.4022000    
 H  -0.3788000      -1.811500     -0.2035000    
 H   -1.234300      -1.037800      -1.542200    
 H   0.2319000      0.9147000      -1.405700    
 H   -3.374900      0.4900000       1.504800    
 H   -4.239300       1.207400      0.1464000    
 H   -2.634000      -2.719000     -0.4268000    
 H   -2.368900      -1.968500       1.146200    
 H   -4.566400      -1.284500      0.3197000    
 H   -3.884500     -0.7804000      -1.226800    
 H   0.5164000       2.143400       1.386600    
 H  -0.3448000       2.876200      2.6600000E-02
 H    1.691000       2.988200      -1.319400    
 H    1.758200       3.926200      0.1820000    
 H    2.625600       2.392000      6.7599997E-02
 H    3.706600      -1.920300      -1.121200    


%chk=000036129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036129

0 1
O 1.683219 -0.736131 -1.474434
N -1.033470 0.325112 0.085171
N 2.272149 -0.367263 0.701001
N 3.164478 -1.369389 0.141674
C -2.148821 1.043445 -0.588876
C -1.137720 -1.146049 -0.113228
C 0.289164 0.963380 -0.249317
C -3.514595 0.583179 -0.041400
C -2.472504 -1.666995 0.459503
C -3.674060 -0.946467 -0.191782
C 0.595485 2.120283 0.741068
C 1.419030 -0.025495 -0.262893
C 1.759448 3.026181 0.289884
C 2.776743 -1.542853 -1.114720
H -2.120415 0.873264 -1.698130
H -2.024531 2.129215 -0.421604
H -0.300493 -1.635148 0.415935
H -1.067765 -1.427793 -1.195737
H 0.251670 1.382421 -1.285653
H -3.581249 0.860170 1.028201
H -4.321938 1.117070 -0.578817
H -2.534703 -2.760029 0.295701
H -2.480923 -1.489001 1.552006
H -4.623539 -1.284657 0.263987
H -3.720776 -1.207864 -1.269550
H 0.809173 1.678209 1.729837
H -0.328952 2.717314 0.848329
H 1.562942 3.476080 -0.702400
H 1.909474 3.851321 1.008815
H 2.707508 2.461982 0.231479
H 3.195571 -2.204993 -1.865353


