%chk=000018079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018079

0 1
 O   0.2023000      -2.094600      -1.095100    
 O   0.3895000       2.027000       1.147000    
 O    4.018300     -0.7806000       1.088300    
 N    2.139800      -1.391900     -8.7499999E-02
 N    2.233000      0.6666000       1.033000    
 C   0.3665000      0.2515000     -0.5043000    
 C   -1.165800      0.2663000     -0.4037000    
 C   -1.608000     -0.4591000      0.8831000    
 C   0.7971000      0.9427000      -1.810400    
 C   -3.124500     -0.4752000       1.161500    
 C   -1.770400     -0.3557000      -1.662700    
 C   0.8586000      -1.190400     -0.5788000    
 C   0.9606000       1.059300      0.6453000    
 C   0.3798000       2.396000      -1.816500    
 C   -3.720200      0.9308000       1.238400    
 C   -3.839700      -1.279200      7.1300000E-02
 C    2.883100     -0.5131000      0.6912000    
 H   -1.524600       1.297700     -0.3290000    
 H   -1.262800      -1.499900      0.8866000    
 H   -1.133700      7.4999998E-03   1.755000    
 H   0.5137000      0.4337000      -2.733600    
 H    1.896700      0.9361000      -1.861500    
 H   -3.280700     -0.9763000       2.125100    
 H   -2.731300      0.1266000      -1.866500    
 H   -1.240700     -0.1815000      -2.596200    
 H   -1.928700      -1.433400      -1.607900    
 H  -0.7023000       2.540900      -1.784300    
 H   0.8524000       2.994400      -1.034100    
 H   0.7100000       2.844900      -2.761700    
 H   -4.767700      0.8812000       1.555500    
 H   -3.179600       1.541200       1.969200    
 H   -3.695500       1.448400      0.2745000    
 H   -4.792100      -1.631300      0.4917000    
 H   -4.141600     -0.7011000     -0.8013000    
 H   -3.300500      -2.188500     -0.2081000    
 H    2.547900      -2.308900     -0.2464000    
 H    2.709900       1.267100       1.699900    


%chk=000018079-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018079

0 1
O 0.694422 -1.865555 -1.729094
O 0.500420 2.226477 0.930376
O 3.465379 -1.193296 1.926265
N 2.009960 -1.490844 0.119564
N 2.007616 0.533227 1.323086
C 0.443330 0.339333 -0.656585
C -1.142813 0.274056 -0.542229
C -1.534319 -0.598865 0.688329
C 0.937941 1.128208 -1.941310
C -3.008029 -0.522472 1.207831
C -1.844109 -0.167248 -1.844896
C 1.027834 -1.078627 -0.804124
C 0.955640 1.105431 0.579141
C 0.361847 2.544865 -2.134181
C -3.549546 0.926990 1.255347
C -3.991561 -1.471313 0.476940
C 2.561072 -0.749047 1.176583
H -1.430717 1.319609 -0.322955
H -1.294582 -1.660547 0.470746
H -0.887802 -0.295482 1.539026
H 0.691593 0.491038 -2.809989
H 2.044894 1.186868 -1.901393
H -2.958872 -0.884327 2.257439
H -2.931395 -0.004891 -1.751709
H -1.504192 0.415434 -2.718279
H -1.664713 -1.232899 -2.062471
H -0.734316 2.529861 -2.262193
H 0.590126 3.202996 -1.280114
H 0.800094 2.991614 -3.045569
H -4.518964 0.960630 1.786191
H -2.849701 1.605023 1.778628
H -3.716347 1.331267 0.239099
H -4.963761 -1.495486 1.004630
H -4.187290 -1.154414 -0.562069
H -3.598844 -2.504942 0.444555
H 2.398363 -2.430651 -0.013981
H 2.370143 1.087179 2.106365


