%chk=000025019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025019

0 1
 N   0.3319000      0.2546000      -1.001200    
 N    2.253300       1.667300     -0.4523000    
 N   0.4685000       2.580100      -1.481300    
 N    3.491800       2.208100       1.537100    
 N    1.209200       2.146200       1.577000    
 C  -0.9531000      9.4899997E-02  -1.687500    
 C   -2.081000      6.0600001E-02 -0.6938000    
 C   0.8879000     -0.9378000     -0.4649000    
 C   -2.488000      -1.155600     -0.1608000    
 C   -2.701900       1.245600     -0.3205000    
 C   0.9900000       1.492800     -0.9856000    
 C   0.6601000      -1.264200      0.8667000    
 C    1.653800      -1.764700      -1.277900    
 C   -3.534100      -1.187600      0.7613000    
 C   -3.747900       1.213600      0.6017000    
 C    1.206500      -2.434600       1.393100    
 C    2.200100      -2.935200     -0.7513000    
 C   -4.164100     -3.1000001E-03   1.142500    
 C    1.976300      -3.270100      0.5842000    
 C    2.340700       1.989100      0.8133000    
 H  -0.9593000     -0.8217000      -2.294100    
 H   -1.126000      0.8984000      -2.415000    
 H   -2.014700      -2.087500     -0.4572000    
 H   -2.387900       2.199100     -0.7351000    
 H   6.7800000E-02 -0.6204000       1.510800    
 H    1.834500      -1.512000      -2.319200    
 H   -3.859500      -2.135100       1.180700    
 H   -4.238700       2.135800      0.8986000    
 H    1.033400      -2.694500       2.433400    
 H    2.800000      -3.585700      -1.381100    
 H   -4.978900     -2.7899999E-02   1.860000    
 H    2.402100      -4.181300      0.9942000    
 H    1.135700       3.349800      -1.358600    
 H    4.405400       2.127200       1.104400    
 H    3.460600       2.454000       2.520400    
 H   0.2725000       2.024400       1.209000    
 H    1.277200       2.392100       2.559000    


%chk=000025019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025019

0 1
N 0.295201 0.088542 -0.801531
N 2.195964 1.426087 -0.296756
N 0.139263 2.401500 -1.216709
N 3.826633 2.253082 1.148535
N 1.649454 3.129182 1.334109
C -1.028173 -0.085769 -1.472167
C -2.255220 -0.038724 -0.562508
C 0.967430 -1.088548 -0.305242
C -3.034680 -1.202313 -0.340310
C -2.659200 1.182004 0.041110
C 0.865592 1.369435 -0.774124
C 0.313882 -1.927905 0.633016
C 2.243783 -1.463365 -0.801824
C -4.188292 -1.156800 0.476495
C -3.807925 1.227472 0.861835
C 0.926985 -3.126123 1.065084
C 2.854992 -2.654519 -0.356652
C -4.575815 0.059158 1.084839
C 2.200155 -3.495014 0.575920
C 2.517870 2.252030 0.686256
H -0.995970 -1.052337 -2.007369
H -1.091474 0.736929 -2.207188
H -2.737616 -2.148264 -0.811430
H -2.064670 2.079247 -0.164617
H -0.662475 -1.635189 1.030098
H 2.746967 -0.809316 -1.518094
H -4.782271 -2.064325 0.635468
H -4.113841 2.176068 1.319048
H 0.410766 -3.763976 1.791816
H 3.839844 -2.934189 -0.748654
H -5.469653 0.098042 1.718250
H 2.675784 -4.422606 0.913701
H 0.716651 3.260439 -1.284436
H 4.453898 1.567058 0.736160
H 4.212771 3.041487 1.660764
H 0.687127 3.173927 0.992620
H 1.850464 3.462290 2.274489


