%chk=000031606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031606

0 1
 O    1.189700      8.6199999E-02  9.3000000E-03
 O   -1.883000      -1.924300     -9.8999999E-03
 O   -1.041600       2.273300       1.085800    
 O    4.685400      0.1860000      5.7999999E-03
 O    3.180600       1.784100      2.8700000E-02
 N   -3.202900      -1.489700     -3.0000001E-04
 N    3.473000      0.5519000      1.1800000E-02
 N   -1.082000       2.273300      -1.193300    
 C   -1.056200     -0.8474000      2.3000001E-03
 C   -1.799000      0.3035000      1.9800000E-02
 C   0.3564000     -0.9871000     -3.7000000E-03
 C   -3.127400     -0.1558000      1.7500000E-02
 C    1.077300      -2.158400     -2.1400001E-02
 C    2.456500     -0.4051000     -3.9999999E-04
 C    2.441100      -1.780400     -1.9400001E-02
 C   -4.364900      0.6423000      3.1500001E-02
 C   -1.303000       1.647700      3.5900000E-02
 H   0.6813000      -3.164600     -3.4100000E-02
 H    3.301300      -2.434800     -2.9999999E-02
 H   -4.372000       1.326500      0.8863000    
 H   -4.446600       1.237700     -0.8837000    
 H   -5.257600      1.1800000E-02  0.1022000    
 H   -1.268200       1.807800      -2.075900    
 H  -0.7237000       3.221400      -1.238700    


%chk=000031606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031606

0 1
O 1.236934 0.113221 -0.249121
O -1.806394 -1.884825 0.174642
O -2.736476 2.644096 -0.281533
O 4.801271 -0.020455 -0.453813
O 3.324954 1.745493 -0.582011
N -3.226839 -1.526359 0.212562
N 3.609845 0.488491 -0.442886
N -0.445093 2.362234 -0.408693
C -1.058973 -0.709481 -0.005978
C -1.925244 0.392837 -0.085883
C 0.355916 -0.968439 -0.058692
C -3.258306 -0.181796 0.056748
C 1.096038 -2.154857 0.044251
C 2.527244 -0.431684 -0.260423
C 2.480031 -1.810363 -0.084638
C -4.596992 0.495691 0.053042
C -1.722773 1.871630 -0.265303
H 0.672436 -3.144918 0.194328
H 3.339742 -2.474688 -0.054374
H -4.656868 1.238933 0.864843
H -4.744342 1.057232 -0.883835
H -5.393088 -0.257473 0.171731
H 0.401342 1.789368 -0.402559
H -0.359868 3.372010 -0.526303


