%chk=000050583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050583

0 1
 O   0.1899000      -1.640900      0.1902000    
 O   -1.383100       2.725500      0.5357000    
 O    3.771200     -0.6125000       1.944000    
 O    1.706100      0.3939000      -2.065200    
 N    2.450400      1.1000000E-02  0.1174000    
 N   -1.010200      0.3967000      0.3089000    
 C    1.268500      0.4176000      0.8170000    
 C   0.8317000       1.828300      0.4881000    
 C   0.1009000     -0.4378000      0.3961000    
 C    4.596000     -0.7881000     -0.3119000    
 C    3.918900     -0.4545000      -1.630700    
 C  -0.6673000       1.736700      0.4490000    
 C    3.580500     -0.4621000      0.7450000    
 C    2.551900      3.9700001E-02  -1.255400    
 C   -2.347000     -7.0299998E-02  9.0999998E-02
 C   -3.265400      0.7291000     -0.5926000    
 C   -2.735800      -1.326100      0.5618000    
 C   -4.567000      0.2747000     -0.8045000    
 C   -4.037300      -1.780700      0.3497000    
 C   -4.953000     -0.9803000     -0.3335000    
 H    1.399200      0.2950000       1.898900    
 H    1.185900       2.217100     -0.4701000    
 H    1.142200       2.523200       1.275000    
 H    5.494700     -0.1831000     -0.1604000    
 H    4.859300      -1.848500     -0.2561000    
 H    3.830000      -1.338800      -2.268400    
 H    4.459500      0.3288000      -2.170200    
 H   -2.992600       1.697200      -1.001600    
 H   -2.060400      -1.962900       1.124900    
 H   -5.278300      0.8945000      -1.342500    
 H   -4.340400      -2.754800      0.7224000    
 H   -5.966400      -1.334200     -0.4987000    


%chk=000050583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050583

0 1
O 0.119509 -1.676302 0.160540
O -1.513620 2.726017 0.570657
O 3.783174 -0.588664 1.962521
O 1.707737 0.506590 -2.087660
N 2.509498 0.051505 0.081006
N -1.047703 0.398890 0.343361
C 1.301774 0.421007 0.815432
C 0.818994 1.877374 0.652685
C 0.092527 -0.448523 0.386131
C 4.681599 -0.816435 -0.368018
C 3.990316 -0.465631 -1.709286
C -0.701220 1.778031 0.530794
C 3.666232 -0.467507 0.722227
C 2.614029 0.085078 -1.330544
C -2.391963 -0.073353 0.101802
C -3.268263 0.681605 -0.714162
C -2.820958 -1.289375 0.686594
C -4.580916 0.214498 -0.937066
C -4.133477 -1.748513 0.448816
C -5.018793 -0.999370 -0.359891
H 1.522740 0.189236 1.876404
H 1.204870 2.326660 -0.278749
H 1.090331 2.533367 1.494019
H 5.609085 -0.244839 -0.192688
H 4.941087 -1.885154 -0.280674
H 3.849542 -1.342718 -2.363728
H 4.536440 0.291749 -2.296944
H -2.933888 1.621631 -1.158461
H -2.135854 -1.874450 1.305152
H -5.259435 0.800637 -1.565988
H -4.462786 -2.691424 0.898229
H -6.038008 -1.358220 -0.539211


