%chk=000039593.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039593

0 1
 O   0.8564000      0.3586000      -1.436600    
 N    3.288200      0.1167000     -0.1559000    
 N  -0.2073000      0.3027000      0.6556000    
 C    2.151700      0.6776000      0.5737000    
 C   -1.561400      6.7299999E-02  0.3178000    
 C    4.537400      0.3934000      0.5527000    
 C   -2.404900       1.145100      9.2500001E-02
 C   -2.022100      -1.237100      0.2186000    
 C   0.8754000      0.4311000     -0.2121000    
 C    3.115100      -1.323300     -0.3431000    
 C   -3.739600      0.9131000     -0.2393000    
 C   -3.356900      -1.469100     -0.1134000    
 C    5.735300     -0.1290000     -0.2222000    
 C   -1.924800       2.556600      0.1960000    
 C   -1.126800      -2.409600      0.4580000    
 C   -4.215600     -0.3939000     -0.3424000    
 H    2.076900      0.2450000       1.579400    
 H    2.256200       1.764500      0.6748000    
 H    4.655500       1.478700      0.6606000    
 H    4.537400     -3.4600001E-02   1.563200    
 H  -6.6699997E-02  0.5802000       1.624700    
 H    3.879400      -1.733700      -1.011100    
 H    2.172500      -1.593600     -0.8281000    
 H    3.159700      -1.867900      0.6079000    
 H   -4.422500       1.738800     -0.4216000    
 H   -3.744500      -2.480900     -0.1991000    
 H    5.819700      -1.219200     -0.1771000    
 H    5.705700      0.1819000      -1.272100    
 H    6.656500      0.2754000      0.2122000    
 H   -1.490000       2.744400       1.183400    
 H   -1.175200       2.762600     -0.5750000    
 H   -2.740400       3.275600      6.1299998E-02
 H  -0.3623000      -2.470400     -0.3234000    
 H  -0.6395000      -2.331100       1.435600    
 H   -1.681700      -3.354100      0.4514000    
 H   -5.254900     -0.5745000     -0.6013000    


%chk=000039593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039593

0 1
O 0.740679 -0.198439 -1.625086
N 3.309248 -0.153851 -0.046696
N -0.189700 0.393669 0.444851
C 2.210577 0.813584 0.085582
C -1.576806 0.098509 0.191823
C 4.636904 0.477248 0.152979
C -2.525680 1.140104 0.422475
C -1.985319 -1.201604 -0.225691
C 0.868721 0.270947 -0.461781
C 3.086229 -1.372317 0.753584
C -3.896649 0.869773 0.207123
C -3.368666 -1.422404 -0.446770
C 5.808047 -0.422957 -0.280435
C -2.072999 2.518180 0.873871
C -0.999484 -2.337349 -0.401539
C -4.319215 -0.402363 -0.236694
H 2.070966 1.161908 1.148154
H 2.462308 1.707038 -0.517769
H 4.653582 1.398820 -0.460346
H 4.788120 0.795631 1.219259
H 0.024250 0.876609 1.321953
H 3.877612 -2.110431 0.547239
H 2.124675 -1.830830 0.464766
H 3.067154 -1.177239 1.857788
H -4.631524 1.665579 0.375680
H -3.696701 -2.415835 -0.774145
H 5.928250 -1.301969 0.377300
H 5.648932 -0.778776 -1.313288
H 6.754407 0.147246 -0.246380
H -1.654319 2.508554 1.901158
H -1.290188 2.924280 0.206380
H -2.919385 3.225013 0.877988
H -0.392693 -2.187764 -1.312823
H -0.291998 -2.387714 0.447892
H -1.524338 -3.305101 -0.472946
H -5.383096 -0.598446 -0.409857


