%chk=000127262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127262

0 1
 O   -4.254000       1.697500       1.130000    
 N    1.117200      -2.377000      0.1423000    
 C   0.3037000     -0.1272000       1.062800    
 C   0.5989000      -1.634600       1.304100    
 C   -1.057700      3.1099999E-02  0.3909000    
 C   9.8899998E-02  -2.618500     -0.8893000    
 C  -0.3380000      -1.350700      -1.625800    
 C   -1.351800     -0.5376000     -0.8630000    
 C    1.438600      0.7056000      0.4544000    
 C   -2.051600      0.7819000       1.049100    
 C    1.676500      -3.659100      0.5868000    
 C   -2.623600     -0.3353000      -1.427600    
 C    1.134400       1.799700     -0.3465000    
 C    2.759200      0.3573000      0.7098000    
 C   -3.309000      0.9695000      0.4773000    
 C   -3.594800      0.4112000     -0.7621000    
 C    2.166500       2.557000     -0.9004000    
 C    3.791400       1.114700      0.1562000    
 C    3.495100       2.214500     -0.6490000    
 H   0.1986000      0.2927000       2.075700    
 H    1.342900      -1.686600       2.111100    
 H  -0.2940000      -2.133800       1.708000    
 H  -0.7683000      -3.151700     -0.4771000    
 H   0.5377000      -3.275900      -1.651900    
 H  -0.7748000      -1.660300      -2.584700    
 H   0.5229000     -0.7279000      -1.895000    
 H   -1.836000       1.227600       2.018200    
 H    2.486700      -3.499000       1.307200    
 H    2.118800      -4.202300     -0.2560000    
 H   0.9189000      -4.299600       1.053100    
 H   -2.869300     -0.7633000      -2.396800    
 H   0.1165000       2.112200     -0.5539000    
 H    3.026500     -0.4791000       1.346600    
 H   -4.571000      0.5520000      -1.217900    
 H    1.936300       3.416000      -1.524100    
 H    4.826100      0.8511000      0.3554000    
 H    4.298800       2.805300      -1.078500    
 H   -3.885700       2.009200       1.974400    


%chk=000127262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127262

0 1
O -4.374752 1.721194 1.001531
N 1.101857 -2.457608 0.248779
C 0.290016 -0.136170 1.072977
C 0.627530 -1.626192 1.377827
C -1.063602 0.036627 0.374773
C 0.117529 -2.680306 -0.836500
C -0.270360 -1.389730 -1.602312
C -1.318018 -0.541124 -0.901254
C 1.420503 0.676074 0.403844
C -2.077043 0.790065 1.014299
C 1.670549 -3.731959 0.734381
C -2.587507 -0.334539 -1.496402
C 1.140903 1.978976 -0.088111
C 2.758368 0.208820 0.337452
C -3.338066 0.979620 0.400953
C -3.599659 0.417907 -0.865949
C 2.163105 2.792122 -0.625026
C 3.784391 1.022060 -0.196112
C 3.493982 2.317920 -0.678997
H 0.165208 0.308901 2.084519
H 1.432074 -1.641097 2.139528
H -0.278793 -2.072339 1.864088
H -0.813523 -3.178001 -0.458392
H 0.591065 -3.379086 -1.552674
H -0.657700 -1.687583 -2.594592
H 0.660111 -0.815168 -1.773113
H -1.875101 1.232157 2.000817
H 2.480377 -3.529821 1.459612
H 2.103023 -4.293601 -0.112994
H 0.920218 -4.393450 1.237847
H -2.791138 -0.775740 -2.479609
H 0.111963 2.355578 -0.058595
H 2.992111 -0.806822 0.665593
H -4.577555 0.573700 -1.330570
H 1.920860 3.793183 -1.000387
H 4.810476 0.638640 -0.241723
H 4.289780 2.945884 -1.095591
H -4.091682 2.067509 1.883881


