%chk=000157346.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157346

0 1
 O    1.078200      0.2952000      -1.457200    
 N    3.023500      0.3614000     -0.1887000    
 N   -1.269800     -0.5826000      0.5734000    
 N   -1.207100       1.775900      0.2300000    
 N   -2.521800       1.774800     -7.5499997E-02
 C    5.615000     -0.8653000      0.1867000    
 C    4.841700      -1.015000      -1.122600    
 C    4.663400     -0.6347000       1.359600    
 C    3.899900      0.1650000      -1.345500    
 C    3.723300      0.5382000       1.089900    
 C    1.641100      0.4091000     -0.3653000    
 C   0.8081000      0.6115000      0.8751000    
 C  -0.6502000      0.6005000      0.5380000    
 C   -2.573400     -0.5715000      0.2685000    
 C   -3.217900      0.6270000     -6.3199997E-02
 C   -3.308800      -1.754800      0.2769000    
 C   -4.575300      0.6098000     -0.3765000    
 C   -4.666800      -1.766400     -3.7700001E-02
 C   -5.303100     -0.5782000     -0.3660000    
 H    6.218000      -1.761900      0.3674000    
 H    6.309400     -1.9900000E-02  0.1071000    
 H    5.541300      -1.098000      -1.961500    
 H    4.259500      -1.944500      -1.091200    
 H    4.071700      -1.543600       1.526000    
 H    5.237900     -0.4493000       2.273700    
 H    4.470800       1.090900      -1.483800    
 H    3.314300      2.7000001E-03  -2.255800    
 H    3.032400      0.6481000       1.927200    
 H    4.292800       1.472600       1.018000    
 H    1.067600       1.571200       1.335500    
 H    1.016700     -0.1920000       1.590200    
 H   -2.822000      -2.694000      0.5325000    
 H   -5.084100       1.536000     -0.6354000    
 H   -5.221600      -2.699600     -2.5500000E-02
 H   -6.360200     -0.5730000     -0.6130000    


%chk=000157346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157346

0 1
O 1.058431 0.073458 -1.387293
N 3.019085 0.342043 -0.159001
N -1.318091 -0.675054 0.747124
N -1.199430 1.748251 0.340462
N -2.485673 1.807966 -0.047882
C 5.702760 -0.792245 0.118448
C 4.861060 -1.005231 -1.162942
C 4.781717 -0.581393 1.343981
C 3.860178 0.153641 -1.365745
C 3.777744 0.570235 1.088947
C 1.636516 0.292729 -0.277493
C 0.816307 0.519945 1.018092
C -0.653855 0.493748 0.695139
C -2.646236 -0.632924 0.345350
C -3.226379 0.617827 -0.083044
C -3.446005 -1.815032 0.345571
C -4.584486 0.670491 -0.520309
C -4.773717 -1.743480 -0.086086
C -5.345091 -0.500892 -0.522193
H 6.376852 -1.652416 0.288396
H 6.347557 0.101996 -0.011594
H 5.517041 -1.076231 -2.051374
H 4.300025 -1.957090 -1.089782
H 4.217799 -1.512363 1.550109
H 5.379113 -0.347396 2.246182
H 4.412682 1.096789 -1.563480
H 3.180211 -0.034450 -2.211781
H 3.088040 0.672025 1.940122
H 4.336671 1.526681 0.997138
H 1.071002 1.501881 1.454592
H 1.041075 -0.274218 1.751825
H -2.988792 -2.753469 0.673416
H -4.990016 1.635333 -0.840732
H -5.391932 -2.647747 -0.096402
H -6.387663 -0.477810 -0.856463


