%chk=000049845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049845

0 1
 O    1.481900       1.886100      -1.122900    
 N  -0.9267000      0.8166000     -5.0700001E-02
 N    3.225400     -0.1924000     -0.2354000    
 N    4.836900      -1.754600     -0.8019000    
 N    5.332000     -0.3338000      0.9103000    
 C    1.445600       1.406700      0.2211000    
 C   0.3783000      0.3159000      0.3186000    
 C    2.834900      0.9235000      0.6337000    
 C   -2.080200      5.1300000E-02 -1.5400000E-02
 C   -3.359700      0.6400000      2.6799999E-02
 C   -1.997600      -1.354800     -2.1000000E-02
 C   -4.510800     -0.1469000      6.1999999E-02
 C   -3.502500       2.127400      3.4400001E-02
 C   -3.148800      -2.141700      1.4100000E-02
 C   -4.405300      -1.537800      5.5700000E-02
 C    4.396600     -0.7055000     -2.9600000E-02
 H    1.162500       2.256200      0.8533000    
 H   0.6467000     -0.4994000     -0.3629000    
 H   0.3527000     -7.9800002E-02   1.340900    
 H   -1.026900       1.820200     -0.1484000    
 H    2.817000      0.6097000       1.683900    
 H    3.545400       1.750400      0.5130000    
 H   -1.041700      -1.870000     -5.6600001E-02
 H   -5.497800      0.3068000      9.4200000E-02
 H   -2.987100       2.560100      0.8984000    
 H   -3.096100       2.557100     -0.8872000    
 H   -4.552300       2.434300      9.9600002E-02
 H    1.772800       1.152200      -1.690800    
 H   -3.067400      -3.224800      8.2000000E-03
 H   -5.301500      -2.150700      8.2699999E-02
 H    4.257500      -2.141400      -1.539000    
 H    5.749800      -2.172200     -0.6586000    
 H    6.223200     -0.8135000      0.9787000    
 H    5.170000      0.4233000       1.564600    


%chk=000049845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049845

0 1
O 1.347972 2.105959 -0.436454
N -0.891137 0.705565 0.313441
N 3.302692 0.388787 -0.325034
N 4.639351 -0.951058 -1.711109
N 5.236598 -0.767646 0.551138
C 1.406086 1.358642 0.826462
C 0.383883 0.197083 0.808917
C 2.858912 0.836775 1.009938
C -2.067251 -0.045542 0.277469
C -3.242436 0.512493 -0.337212
C -2.141150 -1.347027 0.857410
C -4.433176 -0.243706 -0.340993
C -3.185373 1.895805 -0.959072
C -3.349482 -2.075890 0.841486
C -4.507321 -1.532682 0.243004
C 4.348628 -0.393035 -0.463363
H 1.136290 2.074930 1.622950
H 0.778439 -0.632705 0.177202
H 0.268599 -0.193862 1.841048
H -0.783962 1.505336 -0.317487
H 2.875446 0.030144 1.778965
H 3.488946 1.675237 1.377127
H -1.251709 -1.791607 1.315556
H -5.326056 0.189861 -0.809828
H -2.873773 2.662299 -0.221400
H -2.463024 1.946130 -1.800072
H -4.171200 2.191183 -1.356315
H 2.019296 1.611963 -1.009298
H -3.380697 -3.073633 1.295708
H -5.446672 -2.095497 0.227442
H 3.962640 -0.767505 -2.449005
H 5.604650 -1.131206 -1.979673
H 5.801528 -1.609107 0.464730
H 5.181263 -0.317982 1.460123


