%chk=000006821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006821

0 1
 O  -0.2933000      0.2966000      -1.979600    
 O   -2.692000      -2.656900      0.9453000    
 O   -1.323800      -2.244800     -0.8223000    
 N   0.5579000      0.3890000      0.2050000    
 C    1.952100      0.2365000      6.0000001E-03
 C   -1.810300      0.6129000     -0.2447000    
 C    4.169500      9.1100000E-02  0.9059000    
 C    2.796800      0.2416000       1.102700    
 C   -2.614300     -0.4660000      0.1234000    
 C  -0.4608000      0.4115000     -0.7562000    
 C    2.437900      8.5400000E-02  -1.281400    
 C   -2.294000       1.915800     -0.1261000    
 C    4.676400     -6.2300000E-02 -0.3845000    
 C    3.810600     -6.5300003E-02  -1.478100    
 C   -3.902200     -0.2419000      0.6098000    
 C    5.095000      9.4599999E-02   2.075200    
 C   -3.582000       2.139900      0.3604000    
 C   -4.386000       1.061000      0.7281000    
 C   -2.137400      -1.838400      1.1300000E-02
 H    2.400200      0.3630000       2.107600    
 H   0.2726000      0.4988000       1.176200    
 H    1.835400      7.2400004E-02  -2.177100    
 H   -1.677400       2.764900     -0.4097000    
 H    5.744000     -0.1786000     -0.5513000    
 H    4.206700     -0.1844000      -2.482500    
 H   -4.558700      -1.060700      0.8923000    
 H   -3.959200       3.154200      0.4519000    
 H    5.399000       1.119400       2.310400    
 H    4.615800     -0.3418000       2.958200    
 H    5.992800     -0.4990000       1.872100    
 H   -5.390000       1.235800       1.103800    
 H   -2.365600      -3.578400      0.8633000    


%chk=000006821-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006821

0 1
O -0.158378 1.523197 -1.757646
O -2.676813 -2.358258 1.775961
O -0.611596 -1.369654 1.764120
N 0.601739 0.311192 0.089736
C 2.007480 0.358026 -0.126791
C -1.856749 0.712623 -0.238578
C 4.219453 -0.342981 0.727642
C 2.812333 -0.326837 0.828878
C -2.504746 -0.255710 0.615019
C -0.391641 0.858254 -0.693094
C 2.625890 1.036635 -1.210368
C -2.689091 1.682874 -0.863203
C 4.829077 0.339868 -0.359680
C 4.034475 1.016213 -1.309142
C -3.923377 -0.210043 0.775122
C 5.068066 -1.066436 1.760158
C -4.081245 1.734457 -0.668306
C -4.709330 0.774756 0.155644
C -1.821502 -1.323892 1.396291
H 2.324567 -0.853028 1.659651
H 0.292969 -0.250698 0.907118
H 2.007646 1.554213 -1.944502
H -2.192094 2.385415 -1.538288
H 5.921472 0.336428 -0.457587
H 4.514234 1.537574 -2.145454
H -4.394252 -0.966463 1.407073
H -4.670646 2.512510 -1.164973
H 5.677427 -0.352480 2.346465
H 4.445951 -1.637184 2.470987
H 5.768870 -1.773704 1.279115
H -5.792903 0.789295 0.310500
H -2.161588 -3.010265 2.323531


