%chk=000016518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016518

0 1
 O    1.648400      -1.772600     -0.2427000    
 O   -5.648900      0.5044000     -7.8900002E-02
 N    5.520500      0.5049000     -0.1420000    
 N   0.2757000      -1.815500     -0.4547000    
 C    3.388500     -0.4075000      0.6999000    
 C    4.101400      0.3189000     -0.4424000    
 C    1.928300     -0.6238000      0.3877000    
 C   0.8319000      0.1157000      0.6169000    
 C  -0.1903000     -0.6773000      6.7100003E-02
 C   -1.595700     -0.3729000      2.9999999E-02
 C    5.686000       1.336000       1.049900    
 C    6.210300       1.104800      -1.283400    
 C   -2.018000      0.9537000     -2.9200001E-02
 C   -2.531100      -1.405800      5.2999999E-02
 C   -3.381000       1.248700     -6.5399997E-02
 C   -3.894000      -1.110700      1.6700000E-02
 C   -4.318900      0.2165000     -4.2500000E-02
 C   -6.013300       1.882400     -0.1402000    
 H    3.424500      0.1643000       1.633500    
 H    3.864800      -1.376800      0.8943000    
 H    3.609000       1.279900     -0.6458000    
 H    3.997700     -0.2855000      -1.353600    
 H   0.7703000       1.075800       1.108000    
 H    5.396900      0.8054000       1.962000    
 H    5.126100       2.276300      0.9870000    
 H    6.743600       1.588900       1.193700    
 H    7.283100       1.197800      -1.080500    
 H    5.818100       2.098600      -1.528600    
 H    6.115500      0.4679000      -2.170000    
 H   -1.310300       1.778500     -5.8499999E-02
 H   -2.231000      -2.449400      0.1075000    
 H   -3.641700       2.300400     -0.1132000    
 H   -4.620200      -1.918700      3.6499999E-02
 H   -5.689500       2.424500      0.7548000    
 H   -7.107100       1.926800     -0.1623000    
 H   -5.655800       2.352600      -1.062500    


%chk=000016518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016518

0 1
O 1.750100 -1.379415 -0.286818
O -5.895212 0.350821 -0.385671
N 5.732600 0.425826 0.035914
N 0.316908 -1.492506 -0.574800
C 3.383425 0.076557 0.861737
C 4.317167 0.268320 -0.364913
C 1.967663 -0.214642 0.468485
C 0.755736 0.417086 0.672602
C -0.242810 -0.399079 0.017277
C -1.697600 -0.176813 -0.066273
C 6.017031 1.718956 0.690197
C 6.659997 0.164496 -1.085341
C -2.300880 0.959319 0.527570
C -2.534913 -1.106063 -0.751413
C -3.693031 1.178860 0.449244
C -3.918261 -0.901230 -0.837546
C -4.506380 0.243987 -0.237902
C -6.554791 1.515579 0.210784
H 3.380809 0.978251 1.498950
H 3.795039 -0.754356 1.465110
H 3.949785 1.133513 -0.975923
H 4.237551 -0.633198 -0.998433
H 0.597631 1.341335 1.221794
H 5.405745 1.835779 1.601540
H 5.822527 2.599942 0.025312
H 7.077755 1.749633 0.996067
H 7.701673 0.196101 -0.718368
H 6.567934 0.902454 -1.922514
H 6.473660 -0.843716 -1.495293
H -1.684753 1.690939 1.061715
H -2.079204 -1.987906 -1.212294
H -4.124061 2.067118 0.920000
H -4.567596 -1.609052 -1.361232
H -6.417291 1.536573 1.309360
H -7.621499 1.394302 -0.027227
H -6.178652 2.459429 -0.229599


