%chk=000083672.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083672

0 1
 O  -0.6173000       2.405200     -0.5178000    
 N   -1.630400      0.4551000      0.2807000    
 C   -3.716100      -1.522600      1.1300000E-02
 C   -3.910600     -8.5299999E-02 -0.4724000    
 C   -2.237500      -1.911500      2.3000001E-03
 C   -3.035000      0.8838000      0.3174000    
 C   -1.392800     -0.9015000      0.7750000    
 C  -0.5503000       1.240300     -0.1285000    
 C   0.7921000      0.6469000     -8.7499999E-02
 C    1.284400     -2.9600000E-02  -1.200700    
 C    1.567200      0.7645000       1.063400    
 C    3.339500     -0.4766000     -1.1600000E-02
 C    2.560300     -0.5922000      -1.162700    
 C    2.843000      0.2019000       1.101500    
 C    4.703500      -1.078300      2.9500000E-02
 H   -4.113400      -1.622000       1.028800    
 H   -4.285000      -2.209400     -0.6251000    
 H   -3.650000     -2.7200000E-02  -1.536600    
 H   -4.963600      0.2014000     -0.3790000    
 H   -2.114900      -2.910100      0.4360000    
 H   -1.885500      -1.962100      -1.035600    
 H   -3.116400       1.894000     -9.6199997E-02
 H   -3.343100      0.9233000       1.368400    
 H   -1.681900     -0.9077000       1.833600    
 H  -0.3536000      -1.227100      0.7402000    
 H   0.6844000     -0.1261000      -2.101600    
 H    1.189000       1.290600       1.935900    
 H    2.935000      -1.120100      -2.035600    
 H    3.439600      0.2970000       2.004800    
 H    5.369400     -0.5034000      0.6820000    
 H    4.649300      -2.106300      0.4014000    
 H    5.161100      -1.088700     -0.9656000    


%chk=000083672-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083672

0 1
O -0.696295 2.384889 0.437851
N -1.659126 0.262102 0.425548
C -3.911635 -1.440851 -0.328796
C -3.893627 0.075356 -0.640496
C -2.471056 -1.999497 -0.234633
C -3.020262 0.844740 0.376117
C -1.635902 -1.176959 0.772500
C -0.556097 1.117225 0.395739
C 0.823733 0.518136 0.270051
C 1.138622 -0.513178 -0.651635
C 1.876901 1.109312 1.012816
C 3.522085 -0.396800 -0.034619
C 2.469672 -0.957396 -0.803463
C 3.201370 0.649043 0.871057
C 4.946766 -0.904885 -0.169131
H -4.428205 -1.607026 0.639751
H -4.488897 -1.987759 -1.097748
H -3.491030 0.244504 -1.658386
H -4.920991 0.486654 -0.619676
H -2.485291 -3.060272 0.081405
H -1.988360 -1.955099 -1.231184
H -2.917310 1.909997 0.115386
H -3.480604 0.786789 1.386587
H -2.075909 -1.298926 1.787713
H -0.596382 -1.532319 0.821126
H 0.349548 -0.943396 -1.279547
H 1.641275 1.943474 1.681862
H 2.696442 -1.743225 -1.534372
H 4.001551 1.113946 1.459783
H 5.681933 -0.103591 0.022959
H 5.148498 -1.715724 0.558075
H 5.138983 -1.313063 -1.176940


