%chk=000155417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155417

0 1
 O   -2.319200     -0.3884000      0.3529000    
 N    2.302600      -1.703000     -6.6500001E-02
 N   -1.613700       2.314300      0.1902000    
 C  -3.0500000E-02  -1.043100      0.1439000    
 C    1.312400     -0.6951000     -2.4000001E-03
 C    1.680000      0.6480000     -8.4299996E-02
 C   -1.005700     -4.7800001E-02  0.2084000    
 C  -0.6379000       1.295300      0.1266000    
 C   0.7049000       1.643200     -1.9800000E-02
 C  -0.4351000      -2.481000      0.2341000    
 C    3.110600       1.050600     -0.2411000    
 C   -3.068500     -0.5930000     -0.8419000    
 H   0.9872000       2.691800     -8.3300002E-02
 H   -1.485000      -2.621700      0.5073000    
 H  -0.2752000      -2.979200     -0.7279000    
 H   0.1431000      -2.996200       1.009200    
 H    3.525800      0.6426000      -1.168600    
 H    3.224000       2.139300     -0.2886000    
 H    3.704200      0.7017000      0.6105000    
 H    3.277500      -1.460300     -0.1762000    
 H    2.048800      -2.680800     -5.1300000E-02
 H   -2.587300       2.072700      0.3180000    
 H   -1.337200       3.285400      0.1348000    
 H   -2.620700      -1.380600      -1.456100    
 H   -3.136000      0.3344000      -1.419100    
 H   -4.079400     -0.9026000     -0.5625000    


%chk=000155417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000155417

0 1
O -2.393503 -0.376276 0.361270
N 2.328373 -1.704991 -0.074568
N -1.696868 2.290404 0.182841
C -0.033714 -1.074456 0.140887
C 1.337787 -0.705311 -0.015749
C 1.701403 0.672117 -0.116216
C -1.008104 -0.052061 0.187332
C -0.671399 1.328422 0.116100
C 0.696604 1.662723 -0.039038
C -0.430194 -2.531669 0.277168
C 3.158050 1.062601 -0.290566
C -3.104015 -0.545565 -0.924969
H 0.988211 2.719193 -0.102239
H -1.508100 -2.617834 0.486109
H -0.207040 -3.112399 -0.641446
H 0.109267 -3.017979 1.115406
H 3.593202 0.630653 -1.215284
H 3.270796 2.157779 -0.356396
H 3.784657 0.719774 0.559042
H 3.310031 -1.458471 -0.134408
H 2.080808 -2.684991 0.004974
H -2.591745 1.984175 0.560786
H -1.452721 3.273467 0.264802
H -2.690180 -1.402653 -1.491115
H -3.024399 0.371023 -1.540876
H -4.157508 -0.741177 -0.667543


