%chk=000080815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080815

0 1
 O    1.212200       2.336100     -0.3821000    
 N   0.9332000      1.2500000E-02 -6.9999998E-04
 N    1.750200      -1.081900      0.1802000    
 N   -4.654000     -0.2853000      4.0199999E-02
 C    3.085700      0.8107000     -0.1284000    
 C    2.971400     -0.6574000      0.1129000    
 C    1.639700       1.209400     -0.1962000    
 C  -0.4504000     -6.1299998E-02  9.3999999E-03
 C   -1.213300       1.029700      0.4411000    
 C   -1.099400      -1.227500     -0.4123000    
 C    4.169000      -1.528700      0.2575000    
 C   -2.606200      0.9556000      0.4513000    
 C   -2.492300      -1.301800     -0.4023000    
 C   -3.245700     -0.2101000      2.9500000E-02
 H    3.585500       1.301700      0.7084000    
 H    3.588300       1.008000      -1.077000    
 H  -0.7625000       1.940400      0.8225000    
 H  -0.5344000      -2.089100     -0.7594000    
 H    4.769000      -1.473700     -0.6544000    
 H    3.868400      -2.565400      0.4293000    
 H    4.768800      -1.182400       1.103100    
 H   -3.182500       1.809000      0.7997000    
 H   -2.979100      -2.215200     -0.7346000    
 H   -5.118200      -1.129900     -0.2664000    
 H   -5.200900      0.5061000      0.3521000    


%chk=000080815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080815

0 1
O 1.332999 2.540077 0.250920
N 0.951395 0.181571 0.061070
N 1.745746 -1.013500 -0.032849
N -4.703155 -0.401086 -0.004158
C 3.190857 0.844695 0.119637
C 3.017263 -0.652779 -0.001003
C 1.738232 1.348302 0.156607
C -0.473917 0.047825 0.045836
C -1.315324 1.188591 0.127869
C -1.057620 -1.240990 -0.053342
C 4.119219 -1.665751 -0.082645
C -2.713413 1.034113 0.110580
C -2.455523 -1.388585 -0.069877
C -3.312823 -0.253705 0.011873
H 3.729274 1.145749 1.036681
H 3.733832 1.288237 -0.734678
H -0.871922 2.183738 0.204791
H -0.407488 -2.116447 -0.117399
H 4.768480 -1.476930 -0.958714
H 3.698604 -2.680786 -0.167184
H 4.766568 -1.623978 0.814013
H -3.349028 1.925816 0.174403
H -2.889151 -2.393235 -0.146918
H -5.128073 -1.320405 -0.074968
H -5.312534 0.408962 0.052853


