%chk=000147978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147978

0 1
 O   -5.220100       1.130600      7.4199997E-02
 N  -9.2299998E-02 -0.8824000     -0.4382000    
 C    1.108500      -1.093200      -1.246100    
 C   0.4080000      0.2391000      -1.232400    
 C    2.421000      -1.214500     -0.5180000    
 C    1.058000       1.377400     -0.4910000    
 C   -1.254300      -1.486700      -1.069600    
 C    3.017300     -0.1010000      0.1411000    
 C    2.318700       1.227000      0.1552000    
 C    3.079100      -2.462200     -0.5011000    
 C   0.4029000       2.626000     -0.4480000    
 C   -2.504500      -1.282800     -0.2557000    
 C    4.259200     -0.3091000      0.7791000    
 C    2.856100       2.357200      0.8080000    
 C    4.301200      -2.633400      0.1394000    
 C   0.9597000       3.719300      0.2064000    
 C    4.891900      -1.555100      0.7779000    
 C    2.187900       3.584300      0.8329000    
 C   -3.287200     -0.1581000     -0.4748000    
 C   -2.855400      -2.222400      0.7036000    
 C   -4.444700      3.0999999E-02  0.2804000    
 C   -4.012500      -2.033200       1.459000    
 C   -4.807300     -0.9065000       1.247500    
 C   -4.790800       2.048700     -0.9300000    
 H    1.000700      -1.675600      -2.158100    
 H  -0.1211000      0.5035000      -2.144300    
 H   -1.085400      -2.569500      -1.162100    
 H   -1.447200      -1.153800      -2.100100    
 H    2.626100      -3.315600      -1.002200    
 H  -0.5615000       2.744000     -0.9385000    
 H    4.774100      0.4920000       1.301000    
 H    3.812100       2.318800       1.321700    
 H    4.788400      -3.603400      0.1372000    
 H   0.4363000       4.670200      0.2245000    
 H    5.847000      -1.677200       1.280600    
 H    2.632500       4.431900       1.346500    
 H   -2.955000      0.5380000      -1.237600    
 H   -2.243100      -3.102500      0.8789000    
 H   -4.294600      -2.762800       2.212600    
 H   -5.707500     -0.7646000       1.839300    
 H   -4.787000       1.586500      -1.923100    
 H   -3.824700       2.499000     -0.6775000    
 H   -5.523900       2.861600     -0.9591000    


%chk=000147978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147978

0 1
O -6.127164 0.113678 -0.880956
N 0.059939 -0.659722 -0.457734
C 1.257590 -0.541231 -1.391451
C 0.632774 0.715690 -0.798490
C 2.568870 -1.007358 -0.864753
C 1.352386 1.418754 0.297510
C -1.223606 -0.985682 -1.142765
C 3.151718 -0.377336 0.281094
C 2.536343 0.850422 0.868379
C 3.220487 -2.093330 -1.494159
C 0.841058 2.645508 0.782575
C -2.431720 -0.453837 -0.375397
C 4.369100 -0.918403 0.780930
C 3.136796 1.538921 1.959374
C 4.429513 -2.610184 -0.985583
C 1.456384 3.314201 1.860169
C 4.996420 -2.021264 0.168376
C 2.606530 2.745979 2.455799
C -3.691848 -0.415434 -1.028133
C -2.323145 -0.028218 0.967503
C -4.834934 0.039831 -0.329791
C -3.474489 0.431271 1.653090
C -4.729285 0.467760 1.017765
C -6.298518 -0.326965 -2.265239
H 1.061267 -0.750697 -2.453551
H 0.014643 1.342638 -1.456209
H -1.273116 -2.091740 -1.202977
H -1.261691 -0.602051 -2.192891
H 2.760930 -2.548740 -2.379823
H -0.062857 3.062878 0.322939
H 4.849157 -0.475217 1.658382
H 4.038577 1.139421 2.432675
H 4.917992 -3.460934 -1.472730
H 1.043232 4.256374 2.236056
H 5.930248 -2.414983 0.584670
H 3.093067 3.246632 3.300179
H -3.765479 -0.741612 -2.071983
H -1.348470 -0.066602 1.461560
H -3.389693 0.761472 2.694505
H -5.629476 0.817661 1.532057
H -6.024349 -1.393525 -2.387456
H -5.699483 0.290239 -2.963828
H -7.369099 -0.193768 -2.480190


