%chk=000029527.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029527

0 1
 O    3.176100      -1.353300     -0.3112000    
 O    3.740200       1.350700     -7.0000002E-03
 O   -4.236100      -1.310000     -0.4158000    
 N   -4.926000      0.6487000      0.5732000    
 C  -0.1981000      4.8099998E-02 -0.1899000    
 C    2.167500     -0.4421000     -0.2211000    
 C   0.8431000     -0.8754000     -0.2824000    
 C   8.5199997E-02   1.405300     -3.5799999E-02
 C    2.450800      0.9150000     -6.7000002E-02
 C    1.409800       1.838600      2.5800001E-02
 C   -1.579000     -0.4037000     -0.2543000    
 C   -2.596600      0.3220000      0.2010000    
 C    3.641900      -1.927300      0.9085000    
 C   -3.978800     -0.2166000      7.5700000E-02
 H   0.6340000      -1.936400     -0.4020000    
 H  -0.6855000       2.168500      1.4200000E-02
 H    1.617100       2.899300      0.1401000    
 H   -1.742200      -1.380100     -0.7027000    
 H   -2.489500       1.287200      0.6811000    
 H    2.836800      -2.478500       1.404800    
 H    4.033100      -1.152200       1.575100    
 H    4.449700      -2.625400      0.6722000    
 H    3.743100       2.317200      0.1020000    
 H   -4.693700       1.551000      0.9768000    
 H   -5.911100      0.4063000      0.5513000    


%chk=000029527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029527

0 1
O 2.953118 -1.668970 -0.273543
O 3.825629 1.065934 0.123448
O -4.406651 -1.409824 -0.133170
N -5.251648 0.733861 0.153898
C -0.318129 0.070652 0.070969
C 2.066855 -0.609225 -0.036981
C 0.691778 -0.920039 -0.073692
C 0.093850 1.419187 0.273021
C 2.453946 0.751565 0.142258
C 1.459254 1.746698 0.309232
C -1.723679 -0.346625 0.011732
C -2.836017 0.440417 0.121553
C 4.152469 -1.793600 0.582298
C -4.195363 -0.167008 0.035253
H 0.419741 -1.970185 -0.225480
H -0.649035 2.212858 0.399313
H 1.767895 2.791092 0.454541
H -1.918176 -1.418800 -0.140361
H -2.764253 1.525850 0.273086
H 3.858704 -1.876071 1.646416
H 4.831387 -0.937485 0.444755
H 4.630720 -2.728492 0.253537
H 3.958077 2.042368 0.213808
H -5.106558 1.732822 0.285970
H -6.202117 0.369919 0.100739


