%chk=000017517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017517

0 1
 O   0.9673000      0.3744000      0.9419000    
 O    1.754900      0.5357000      -1.239900    
 N    3.197700      5.8899999E-02  0.5131000    
 C  -0.6975000      -1.807700      0.1476000    
 C   -1.137700     -0.3826000      8.0100000E-02
 C  -0.6602000      -2.477000      -1.238600    
 C   -1.560900      -2.644000       1.110100    
 C  -0.2854000      0.6466000      0.4803000    
 C   -2.417200     -8.5600004E-02 -0.3896000    
 C  -0.7127000       1.972700      0.4107000    
 C   -2.844300       1.240500     -0.4590000    
 C   -1.992100       2.269700     -5.8800001E-02
 C    1.968800      0.3406000     -4.6900000E-02
 C    4.419300     -4.2100001E-02 -0.2510000    
 H   0.3240000      -1.872000      0.5401000    
 H   -1.658000      -2.557900      -1.683000    
 H  -0.2467000      -3.488800      -1.165100    
 H  -2.9899999E-02  -1.906300      -1.929700    
 H   -1.578500      -2.192900       2.108400    
 H   -1.156200      -3.657500       1.206600    
 H   -2.595900      -2.731800      0.7629000    
 H   -3.099100     -0.8695000     -0.7070000    
 H  -5.4499999E-02   2.779600      0.7214000    
 H   -3.840500       1.472000     -0.8246000    
 H   -2.324800       3.302100     -0.1128000    
 H    3.245900     -8.6700000E-02   1.516700    
 H    5.132000      0.6838000      0.1478000    
 H    4.243900      0.1537000      -1.311300    
 H    4.819900      -1.050400     -0.1214000    


%chk=000017517-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017517

0 1
O 1.019701 0.563972 0.849387
O 1.804795 0.064982 -1.342236
N 3.220287 0.130107 0.538753
C -0.646292 -1.800712 0.123998
C -1.153213 -0.357002 0.080864
C -0.567045 -2.396128 -1.308282
C -1.516717 -2.686635 1.053987
C -0.329067 0.752323 0.396162
C -2.492420 -0.066116 -0.291482
C -0.798644 2.081043 0.362455
C -2.984484 1.255375 -0.336333
C -2.136268 2.337344 -0.003883
C 2.017728 0.230760 -0.118994
C 4.464853 -0.199150 -0.159785
H 0.377586 -1.791939 0.542014
H -1.569834 -2.438735 -1.773330
H -0.162956 -3.425425 -1.276361
H 0.088054 -1.777685 -1.945273
H -1.563683 -2.271721 2.077122
H -1.094932 -3.707274 1.111703
H -2.551965 -2.775088 0.675264
H -3.160836 -0.895760 -0.549443
H -0.112227 2.892939 0.622987
H -4.023926 1.441983 -0.627979
H -2.508869 3.366853 -0.032584
H 3.218541 0.304850 1.543905
H 5.210091 0.610896 -0.055025
H 4.230777 -0.325647 -1.228722
H 4.902562 -1.140912 0.220109


