%chk=000052214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052214

0 1
 O    5.678100       1.060900      0.1598000    
 N   -4.192500      0.2109000     -0.4193000    
 N  -0.4943000     -4.4599999E-02 -0.1206000    
 N   0.2777000      -2.294000      0.1271000    
 C   -4.638400     -0.4246000      0.8204000    
 C   -5.126900       1.314600     -0.6375000    
 C   -6.152200     -0.4467000      0.6673000    
 C   -6.472900      0.6941000     -0.2936000    
 C   -2.809900      0.6594000     -0.3475000    
 C   -1.876300     -0.5279000     -0.1592000    
 C   0.4399000     -0.9282000      1.3600000E-02
 C    1.841800     -0.3957000      5.3199999E-02
 C    2.047500      0.8617000      0.5637000    
 C    2.854000      -1.190800     -0.4232000    
 C    3.351200       1.356600      0.5999000    
 C    4.157700     -0.6959000     -0.3868000    
 C    4.406200      0.5779000      0.1246000    
 C    6.709300      0.2122000     -0.3421000    
 H   -4.364000      0.1642000       1.705200    
 H   -4.258600      -1.443700      0.9416000    
 H   -5.103000       1.678600      -1.669400    
 H   -4.925200       2.157700      3.5799999E-02
 H   -6.654600     -0.3175000       1.631300    
 H   -6.487900      -1.398000      0.2379000    
 H   -6.959100      0.2961000      -1.192000    
 H   -7.149500       1.426700      0.1578000    
 H   -2.660700       1.384700      0.4637000    
 H   -2.542700       1.172700      -1.280100    
 H   -2.091400      -1.044500      0.7827000    
 H   -2.009100      -1.232500     -0.9900000    
 H    1.242900       1.480000      0.9488000    
 H    2.686400      -2.174700     -0.8486000    
 H  -0.6401000      -2.724300      9.9699996E-02
 H    1.051800      -2.923400      0.3093000    
 H    3.539100       2.348600       1.001700    
 H    4.929300      -1.350800     -0.7769000    
 H    6.576900      6.3999998E-03  -1.409700    
 H    6.799100     -0.7052000      0.2495000    
 H    7.654500      0.7546000     -0.2360000    


%chk=000052214-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052214

0 1
O 5.785830 1.144186 0.168598
N -4.282779 0.229461 -0.282757
N -0.519744 -0.093856 -0.212551
N 0.282820 -2.360327 -0.106118
C -4.816074 -0.436958 0.937238
C -5.218527 1.350621 -0.552799
C -6.365455 -0.337139 0.801929
C -6.605039 0.704548 -0.340694
C -2.862785 0.624855 -0.213354
C -1.912023 -0.586283 -0.222692
C 0.460842 -0.970918 -0.140264
C 1.871869 -0.478991 -0.087794
C 2.115822 0.868879 0.298118
C 2.982999 -1.294999 -0.413625
C 3.420699 1.375348 0.371873
C 4.305797 -0.800134 -0.344883
C 4.524799 0.540185 0.055826
C 6.959217 0.327891 -0.149932
H -4.474891 0.091314 1.865387
H -4.463220 -1.481842 1.001235
H -5.070453 1.742493 -1.575023
H -5.072385 2.199567 0.165634
H -6.817365 -0.008150 1.754330
H -6.812750 -1.312132 0.543516
H -6.920900 0.190832 -1.265032
H -7.376482 1.450767 -0.081852
H -2.639244 1.242504 0.694376
H -2.623196 1.247629 -1.094388
H -2.122671 -1.236118 0.660825
H -2.138229 -1.191454 -1.131014
H 1.249063 1.496316 0.526419
H 2.834764 -2.321618 -0.769964
H -0.648109 -2.756816 -0.202589
H 1.049947 -2.987276 0.119440
H 3.616176 2.409462 0.671408
H 5.139653 -1.455331 -0.613771
H 6.940490 -0.010609 -1.204316
H 7.033300 -0.550646 0.520525
H 7.822339 0.990338 0.010832


