%chk=000104431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104431

0 1
 O   -1.778000      -1.461200     -0.1199000    
 N    3.656100      8.5699998E-02 -0.2364000    
 N  -0.6888000      0.5629000     -0.4443000    
 C    1.382800     -9.5600002E-02  0.7321000    
 C    2.783700     -0.7045000      0.6236000    
 C   0.6381000      1.4900000E-02 -0.5971000    
 C   -3.067200      0.5879000     -9.1300003E-02
 C   -1.798700     -0.2370000     -0.2153000    
 C   -4.300700     -0.2742000      0.1611000    
 C    4.990200     -0.5133000     -0.3075000    
 C    3.744500       1.465100      0.2462000    
 C   -5.562000      0.5693000      0.2488000    
 H   0.7964000     -0.7452000       1.396800    
 H    1.397400      0.8738000       1.244000    
 H    2.688600      -1.719700      0.2178000    
 H    3.205000     -0.8018000       1.633000    
 H    1.168100      0.6778000      -1.288200    
 H   0.5644000     -0.9709000      -1.070000    
 H  -0.7998000       1.571300     -0.4980000    
 H   -2.934300       1.301500      0.7307000    
 H   -3.193700       1.160500      -1.018000    
 H   -4.176800     -0.8400000       1.092200    
 H   -4.414600      -1.009900     -0.6440000    
 H    4.932000      -1.536700     -0.6947000    
 H    5.484200     -0.5415000      0.6706000    
 H    5.627700      4.6799999E-02  -1.000700    
 H    4.497600       2.020000     -0.3267000    
 H    4.025800       1.520100       1.304300    
 H    2.811800       2.016300      9.3300000E-02
 H   -5.493700       1.293100       1.067200    
 H   -5.732400       1.118500     -0.6827000    
 H   -6.432600     -6.8400003E-02  0.4311000    


%chk=000104431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104431

0 1
O -1.692739 -1.463314 -0.504447
N 3.638423 0.231198 -0.053018
N -0.709353 0.634945 -0.667590
C 1.251956 -0.182658 0.685179
C 2.696940 -0.715624 0.600871
C 0.667052 0.108914 -0.715882
C -3.177152 0.498622 -0.561914
C -1.811215 -0.198906 -0.566912
C -4.113082 -0.065158 0.534312
C 4.888148 -0.435073 -0.474890
C 3.913729 1.427934 0.767740
C -5.548156 0.489803 0.423588
H 0.622098 -0.944740 1.180908
H 1.204947 0.730280 1.310333
H 2.693529 -1.647643 0.002312
H 3.047664 -0.994098 1.629091
H 1.315722 0.826155 -1.248177
H 0.643894 -0.830969 -1.297139
H -0.855011 1.645005 -0.686927
H -3.068293 1.596200 -0.450270
H -3.644651 0.320748 -1.551671
H -3.693201 0.169650 1.532300
H -4.115703 -1.166849 0.445529
H 4.652932 -1.270553 -1.157878
H 5.484722 -0.844890 0.380403
H 5.527443 0.282871 -1.019977
H 4.580958 2.111123 0.212282
H 4.402609 1.184310 1.746464
H 2.978195 1.972290 0.982904
H -5.565025 1.592578 0.516998
H -5.998747 0.228233 -0.552627
H -6.197537 0.075215 1.216106


