%chk=000138475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138475

0 1
 O   -1.911600     -0.1521000      0.7999000    
 O    2.789600      -1.567500      0.2210000    
 N    4.045700      0.1738000     -0.4069000    
 N    4.867100     -0.9344000     -0.3155000    
 C   -4.116000     -0.8134000      0.1391000    
 C   -5.447500     -0.3574000     -0.4505000    
 C   -3.130700      0.3403000      0.2608000    
 C  -0.7645000      0.5038000      0.4352000    
 C   -6.413500      -1.520400     -0.6105000    
 C    1.601700      0.4718000     -8.3999997E-03
 C   0.4346000     -0.1957000      0.3633000    
 C  -0.8126000       1.861500      0.1409000    
 C    1.561500       1.834100     -0.3054000    
 C   0.3544000       2.528900     -0.2309000    
 C    2.850100     -0.2465000     -8.6099997E-02
 C    4.091700      -1.926900      5.4000001E-02
 H   -4.272200      -1.265600       1.126500    
 H   -3.675200      -1.601300     -0.4846000    
 H   -5.283000      0.1072000      -1.429800    
 H   -5.900700      0.4023000      0.1969000    
 H   -2.988100      0.7652000     -0.7414000    
 H   -3.534500       1.109800      0.9289000    
 H   -6.003200      -2.282100      -1.281100    
 H   -6.624800      -1.990200      0.3554000    
 H   -7.360900      -1.171000      -1.032800    
 H   0.4304000      -1.256600      0.6009000    
 H   -1.725200       2.444900      0.2144000    
 H    2.459000       2.374900     -0.5959000    
 H   0.3248000       3.591100     -0.4559000    
 H    4.347600      -2.958800      0.2361000    


%chk=000138475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138475

0 1
O -1.863552 -0.406106 -0.086386
O 3.039169 -1.626675 0.189946
N 4.230764 0.324109 0.137943
N 5.159278 -0.780663 0.236411
C -4.234961 -0.880149 -0.149183
C -5.675485 -0.328517 -0.264183
C -3.189914 0.236181 -0.183959
C -0.731939 0.417738 -0.083445
C -6.738351 -1.446702 -0.211406
C 1.711769 0.476666 0.020391
C 0.505854 -0.261716 0.007547
C -0.765447 1.833839 -0.162406
C 1.689467 1.898851 -0.057289
C 0.450914 2.557557 -0.147668
C 2.999842 -0.203501 0.112683
C 4.421291 -1.882843 0.263470
H -4.122584 -1.448481 0.793850
H -4.034140 -1.586819 -0.976983
H -5.781241 0.236693 -1.212691
H -5.861841 0.395891 0.555041
H -3.253412 0.812519 -1.131057
H -3.326640 0.935566 0.667726
H -6.596416 -2.168693 -1.037215
H -6.675912 -2.008095 0.739491
H -7.760177 -1.034200 -0.294497
H 0.509468 -1.353530 0.066516
H -1.713828 2.373382 -0.234076
H 2.632607 2.451980 -0.045345
H 0.422389 3.650738 -0.207854
H 4.747028 -2.915321 0.332229


