%chk=000012797.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012797

0 1
 O  -0.6100000     -0.8953000      0.4929000    
 N   -3.418400       1.446800     -0.3728000    
 C   -2.773500      0.3276000      0.3174000    
 C   -1.663000     -0.4354000     -0.3528000    
 C   -3.008700      -1.078000     -0.1525000    
 C   0.6358000     -0.4010000      0.2556000    
 C   0.8692000      0.9717000      0.3395000    
 C    1.678800      -1.266900     -7.2700001E-02
 C    2.145700       1.478400      9.5299996E-02
 C    2.955300     -0.7603000     -0.3168000    
 C    3.188700      0.6124000     -0.2329000    
 H   -1.419800     -0.1881000      -1.383200    
 H   -2.693000      0.4700000       1.390700    
 H   -3.099800      -1.852700      0.5997000    
 H   -3.624700      -1.237400      -1.029600    
 H   -2.895900       2.306200     -0.2080000    
 H   -4.349400       1.604400      1.0600000E-02
 H   6.7599997E-02   1.657100      0.6010000    
 H    1.503000      -2.337000     -0.1401000    
 H    2.327800       2.547000      0.1622000    
 H    3.767500      -1.434600     -0.5723000    
 H    4.182600       1.006900     -0.4227000    


%chk=000012797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012797

0 1
O -0.623255 -1.185932 -0.325282
N -3.246152 1.517767 0.215626
C -2.577795 0.268333 0.493118
C -1.789293 -0.398731 -0.650429
C -3.108711 -0.999137 -0.208357
C 0.604721 -0.501771 -0.215750
C 0.751064 0.898185 -0.379335
C 1.729842 -1.312877 0.070943
C 2.036019 1.476558 -0.254953
C 3.002496 -0.720352 0.193796
C 3.165273 0.678003 0.031286
H -1.742037 0.130672 -1.609786
H -2.151351 0.088603 1.495171
H -3.063441 -1.936239 0.353032
H -3.960532 -0.887285 -0.884189
H -2.696867 2.363281 0.386106
H -4.209843 1.584373 0.550427
H -0.115665 1.528355 -0.599548
H 1.585199 -2.391332 0.189442
H 2.149392 2.559248 -0.383767
H 3.870293 -1.351876 0.415288
H 4.156441 1.133953 0.125660


