%chk=000003816.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003816

0 1
 O   -2.711100      -1.208500     -0.4220000    
 O   -1.016600      -2.604300     -0.9779000    
 O   -2.592500       2.082400      0.9999000    
 O   -2.177600       1.755300      -1.214000    
 N   0.3364000      -1.806300       1.305600    
 C   0.1603000      0.2383000      5.5199999E-02
 C    1.592800      2.6000000E-03  0.5527000    
 C  -0.6451000     -0.8940000      0.7090000    
 C    1.634100      -1.510700      0.7022000    
 C  -0.3700000       1.621700      0.4156000    
 C    2.652600      0.5245000     -0.3595000    
 C   -1.432700      -1.663700     -0.3057000    
 C    3.609500       1.514200      0.2362000    
 C   -1.784500       1.818100     -5.8899999E-02
 C    2.744400      0.1306000      -1.638300    
 H   0.1049000      0.1316000      -1.037000    
 H    1.707600      0.4527000       1.550000    
 H   -1.313800     -0.5537000       1.506600    
 H    1.728500      -2.041100     -0.2522000    
 H    2.450300      -1.835400       1.355600    
 H   8.3800003E-02  -2.785900       1.192900    
 H  -0.3199000       1.778700       1.500200    
 H   0.2409000       2.409300     -4.0100001E-02
 H    3.069700       2.397000      0.5941000    
 H    4.144000       1.065800       1.079900    
 H    4.356900       1.852900     -0.4891000    
 H    3.521700      0.5205000      -2.287900    
 H    2.058700     -0.5856000      -2.077300    
 H   -3.219800      -1.717400      -1.088800    
 H   -3.524700       2.214300      0.7244000    


%chk=000003816-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003816

0 1
O -2.819487 -1.099197 0.284500
O -1.568919 -2.962091 -0.327164
O -2.659952 2.577986 -0.220709
O -1.841751 1.128014 -1.835393
N 0.625865 -2.041011 1.251248
C 0.089879 0.048556 0.123539
C 1.572532 0.052554 0.588321
C -0.508912 -1.135094 0.969276
C 1.886006 -1.467144 0.708176
C -0.628998 1.397876 0.308187
C 2.569259 0.809281 -0.283911
C -1.639331 -1.848583 0.238538
C 3.962734 0.943388 0.309989
C -1.740501 1.634768 -0.696168
C 2.265958 1.329879 -1.503919
H 0.054548 -0.232163 -0.947250
H 1.614569 0.478900 1.615125
H -0.940348 -0.720109 1.903680
H 2.148492 -1.866576 -0.297098
H 2.733634 -1.661141 1.389733
H 0.442877 -3.010627 0.965306
H -1.035254 1.516267 1.327721
H 0.098489 2.221734 0.159258
H 3.927560 1.445057 1.297156
H 4.424808 -0.049316 0.475701
H 4.631656 1.523380 -0.348004
H 3.025195 1.854105 -2.095929
H 1.272513 1.245891 -1.957691
H -3.525175 -1.553313 -0.250300
H -3.349148 2.742630 -0.920519