%chk=000040722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040722

0 1
 O    4.046200       1.874400     -0.4411000    
 N   -1.192700     -5.2000001E-02 -0.3191000    
 C   -2.308700     -0.9980000     -0.1802000    
 C   -1.670000       1.276200     -0.7288000    
 C   -3.323900     -0.5061000      0.8528000    
 C   -2.664400       1.842400      0.2860000    
 C   -3.832800      0.8891000      0.5091000    
 C  -0.2081000     -0.5589000      -1.274700    
 C   0.3796000      -1.881300     -0.7762000    
 C    1.067400      -1.747100      0.5842000    
 C    2.223300     -0.8414000      0.5371000    
 C    3.167600     -0.1002000      0.4994000    
 C    4.316600      0.8029000      0.4515000    
 H   -1.979300      -1.973800      0.1863000    
 H   -2.810600      -1.158300      -1.143400    
 H   -2.140000       1.233800      -1.720300    
 H  -0.8235000       1.970100     -0.7988000    
 H   -2.859300     -0.4909000       1.847100    
 H   -4.167700      -1.203500      0.9050000    
 H   -3.039200       2.811000     -6.3699998E-02
 H   -2.152800       2.022900       1.240000    
 H   -4.445400      0.8418000     -0.3995000    
 H   -4.476200       1.263700       1.312800    
 H  -0.6599000     -0.7149000      -2.263200    
 H   0.5983000      0.1716000      -1.411600    
 H    1.126500      -2.205900      -1.514400    
 H  -0.3565000      -2.690600     -0.7546000    
 H    1.415100      -2.740700      0.8928000    
 H   0.3617000      -1.419100       1.355000    
 H    4.517500       1.228200       1.439100    
 H    5.219700      0.2858000      0.1137000    
 H    3.950900       1.498300      -1.333200    


%chk=000040722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040722

0 1
O 5.427647 0.681955 -0.828115
N -1.392250 -0.141002 -0.318537
C -2.605058 -0.992013 -0.419706
C -1.740302 1.301358 -0.405313
C -3.613636 -0.665306 0.701265
C -2.718692 1.704000 0.717148
C -3.994444 0.832598 0.673157
C -0.335497 -0.532491 -1.286487
C 0.445657 -1.787556 -0.839137
C 1.206141 -1.557872 0.497679
C 2.324555 -0.604919 0.376671
C 3.255522 0.200058 0.255091
C 4.386570 1.134095 0.121936
H -2.303521 -2.053392 -0.354850
H -3.105711 -0.851672 -1.416039
H -2.203678 1.547772 -1.398452
H -0.806012 1.887338 -0.323295
H -3.152898 -0.912097 1.677555
H -4.512928 -1.300386 0.583472
H -2.973913 2.776529 0.615104
H -2.212734 1.570129 1.693028
H -4.557048 1.051094 -0.258482
H -4.663055 1.080082 1.519348
H -0.756750 -0.703263 -2.309603
H 0.380019 0.307659 -1.369680
H 1.159854 -2.069197 -1.636132
H -0.244035 -2.643303 -0.706647
H 1.585717 -2.522561 0.887835
H 0.473854 -1.167768 1.232423
H 4.048096 2.100316 -0.289602
H 4.835013 1.323060 1.120583
H 5.642919 -0.263744 -0.623120


