%chk=000017564.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017564

0 1
 O    2.269400      1.7999999E-02 -0.9952000    
 O    2.828000      2.8500000E-02   1.261800    
 N    4.476600      4.4700000E-02 -0.3704000    
 C   -1.756200      -2.529000      9.5600002E-02
 C   -1.817200       2.469000      8.9599997E-02
 C   -1.029400      -1.188800     -0.1052000    
 C   -1.080700       1.186500     -0.1016000    
 C   -1.739700     -2.9400000E-02  8.0300003E-02
 C   -2.290000      -2.619000       1.541700    
 C   -2.940300      -2.630400     -0.8900000    
 C  -0.8607000      -3.766800     -0.1379000    
 C   -2.374900       2.590300       1.541600    
 C   -3.027300       2.578200     -0.8895000    
 C  -0.9757000       3.767700     -0.1428000    
 C   0.2958000      -1.213200     -0.4604000    
 C   0.2666000       1.202500     -0.4628000    
 C   0.9548000      2.6000000E-03 -0.6420000    
 C    3.174000      2.9500000E-02  8.4100001E-02
 C    5.626900      5.9000000E-02  0.5030000    
 H   -2.786900     -4.6300001E-02  0.3610000    
 H   -3.033500      -1.845600       1.762900    
 H   -2.774000      -3.585800       1.723800    
 H   -1.477000      -2.511800       2.269700    
 H   -2.599600      -2.531900      -1.927600    
 H   -3.696700      -1.857000     -0.7174000    
 H   -3.448600      -3.597500     -0.7974000    
 H  -1.4300000E-02  -3.798700      0.5583000    
 H  -0.4757000      -3.807700      -1.163600    
 H   -1.428800      -4.692300      1.9099999E-02
 H   -2.891200       3.545500       1.692000    
 H   -3.092800       1.795600       1.772500    
 H   -1.563700       2.526600       2.276500    
 H   -2.692700       2.505500      -1.931100    
 H   -3.551700       3.533400     -0.7703000    
 H   -3.762500       1.783400     -0.7225000    
 H  -0.5909000       3.819200      -1.168100    
 H  -0.1294000       3.827700      0.5516000    
 H   -1.584300       4.666300      1.6000001E-02
 H   0.8717000      -2.117500     -0.6120000    
 H   0.8206000       2.122400     -0.6163000    
 H    4.635300      4.5600001E-02  -1.373200    
 H    6.233300     -0.8229000      0.2827000    
 H    5.329900      5.1800001E-02   1.554300    
 H    6.207300      0.9594000      0.2876000    


%chk=000017564-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017564

0 1
O 2.369376 0.031324 -0.894286
O 3.079883 0.044936 1.378090
N 4.586828 0.060166 -0.432583
C -1.822740 -2.582873 0.103418
C -1.884863 2.545454 0.098512
C -1.045223 -1.256420 -0.079536
C -1.075300 1.237152 -0.081603
C -1.723036 -0.017397 0.059158
C -2.409791 -2.638826 1.546566
C -2.987597 -2.651365 -0.929632
C -0.922285 -3.828191 -0.101237
C -2.481229 2.585810 1.538114
C -3.044389 2.587803 -0.941698
C -1.011896 3.811319 -0.099183
C 0.339620 -1.224652 -0.376553
C 0.309800 1.238594 -0.378381
C 0.984840 0.014802 -0.519206
C 3.342818 0.045645 0.154231
C 5.819514 0.077773 0.357399
H -2.794744 -0.029979 0.288708
H -3.096847 -1.795982 1.741404
H -2.974802 -3.578893 1.692280
H -1.602385 -2.597539 2.300080
H -2.598167 -2.627757 -1.963916
H -3.689601 -1.806241 -0.813450
H -3.559974 -3.588563 -0.795431
H -0.094750 -3.860647 0.631192
H -0.490002 -3.858358 -1.118614
H -1.524299 -4.745514 0.033679
H -3.068246 3.512601 1.682129
H -3.150121 1.727371 1.727866
H -1.677366 2.561784 2.296154
H -2.647989 2.574474 -1.973522
H -3.639513 3.511201 -0.810528
H -3.726705 1.726076 -0.830522
H -0.577169 3.854738 -1.115051
H -0.187568 3.859924 0.635974
H -1.634606 4.714658 0.036709
H 0.924412 -2.139755 -0.495709
H 0.872390 2.167312 -0.498799
H 4.621063 0.058684 -1.452080
H 6.441889 -0.812895 0.152140
H 5.538814 0.073035 1.422604
H 6.415757 0.986511 0.153512


