%chk=000103677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103677

0 1
 O   0.2376000     -0.1724000      0.9025000    
 O  -0.3123000     -0.1420000      -1.369700    
 O   -3.779200      0.7991000     -0.8815000    
 N    3.781300     -0.4371000     -7.0699997E-02
 C  -0.8659000     -7.0299998E-02 -3.3799998E-02
 C    1.368000     -0.5889000      0.1303000    
 C    1.098200      1.1400000E-02  -1.222100    
 C   -1.791900      -1.272100      0.1665000    
 C   -1.544600       1.300400      0.1260000    
 C    2.654300     -0.1136000      0.7712000    
 C   -2.939400      -1.418700     -0.6350000    
 C   -2.856000       1.618400     -0.2861000    
 C   -3.314600     -0.3347000      -1.599300    
 C   -1.521000      -2.272100       1.119500    
 C  -0.7876000       2.351000      0.7014000    
 C    5.037500      2.0000000E-02  0.5198000    
 C   -3.773500      -2.538200     -0.4841000    
 C   -3.379000       2.907100     -6.1999999E-02
 C    6.208200     -0.3039000     -0.4068000    
 C   -2.354500      -3.383700       1.262400    
 C   -1.310700       3.630800      0.9015000    
 C   -3.478600      -3.519100      0.4579000    
 C   -2.613800       3.907600      0.5259000    
 C    7.531500      0.1856000      0.1829000    
 C    8.706000     -0.1645000     -0.7168000    
 H    1.343100      -1.684800      7.4100003E-02
 H    1.328800       1.081600      -1.264300    
 H    1.618400     -0.4974000      -2.038100    
 H    2.751200     -0.5776000       1.761000    
 H    2.595700      0.9683000      0.9465000    
 H   -2.515500     -7.3899999E-02  -2.300900    
 H   -4.146500     -0.6689000      -2.230900    
 H    3.822900      -1.443100     -0.2313000    
 H  -0.6521000      -2.211100       1.769500    
 H   0.2431000       2.191900       1.010500    
 H    5.195500     -0.4629000       1.491900    
 H    4.999600       1.103700      0.6840000    
 H   -4.666700      -2.645700      -1.094800    
 H   -4.399500       3.138700     -0.3623000    
 H    6.049200      0.1653000      -1.386000    
 H    6.260800      -1.387400     -0.5731000    
 H   -2.121700      -4.143200       2.003200    
 H  -0.6958000       4.404000       1.352200    
 H   -4.129100      -4.381400      0.5692000    
 H   -3.032300       4.896900      0.6819000    
 H    7.689400     -0.2655000       1.169500    
 H    7.496900       1.272100      0.3245000    
 H    9.641100      0.1958000     -0.2767000    
 H    8.788800      -1.247800     -0.8505000    
 H    8.595000      0.2963000      -1.703500    


%chk=000103677-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103677

0 1
O 0.224319 -0.558799 0.865377
O -0.371838 -0.485583 -1.420282
O -3.520772 0.963039 -1.300985
N 3.876912 -0.501045 -0.013989
C -0.922434 -0.313933 -0.029891
C 1.440724 -0.811862 0.042977
C 1.073553 -0.194159 -1.315928
C -1.995784 -1.380057 0.181194
C -1.442317 1.120856 0.171878
C 2.648709 -0.186811 0.748384
C -3.122313 -1.418948 -0.686480
C -2.627062 1.632668 -0.448557
C -3.240037 -0.410286 -1.805195
C -1.894508 -2.302951 1.243746
C -0.719062 1.997180 1.024800
C 5.093051 0.205447 0.453345
C -4.121150 -2.397121 -0.480820
C -3.028532 2.974412 -0.213192
C 6.322531 -0.193671 -0.384662
C -2.897044 -3.280531 1.438497
C -1.116144 3.327846 1.255549
C -4.012105 -3.332773 0.573204
C -2.283515 3.819967 0.625439
C 7.616986 0.516825 0.072062
C 8.847539 0.110918 -0.767260
H 1.568211 -1.910637 -0.054975
H 1.260818 0.897587 -1.322226
H 1.561839 -0.671498 -2.176427
H 2.673345 -0.535168 1.809333
H 2.523577 0.912615 0.771735
H -2.323013 -0.376252 -2.418080
H -4.113036 -0.620668 -2.442432
H 4.040093 -1.518254 -0.058264
H -1.027487 -2.245093 1.907058
H 0.159217 1.589708 1.532152
H 5.308364 0.016874 1.536261
H 4.914646 1.294415 0.350791
H -4.989997 -2.423333 -1.149313
H -3.939426 3.320631 -0.711473
H 6.118140 0.036558 -1.448414
H 6.471204 -1.293217 -0.320996
H -2.808042 -3.995538 2.264010
H -0.531177 3.967590 1.924544
H -4.791518 -4.088564 0.720376
H -2.614283 4.851541 0.789536
H 7.805466 0.287273 1.140770
H 7.472129 1.614611 0.009765
H 9.759672 0.633566 -0.425721
H 9.034878 -0.977237 -0.696285
H 8.696976 0.355863 -1.835438


