%chk=000021773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021773

0 1
 O   0.4865000       2.255000      0.4931000    
 O   -1.689100     -0.4735000     -0.6202000    
 O   -3.881100     -0.2483000      4.6700001E-02
 N   -3.037400      -2.271200     -0.6483000    
 C   0.1574000       1.091000     -0.2933000    
 C   -1.252400      0.6231000      0.1914000    
 C   9.2600003E-02   1.587900      -1.766500    
 C    1.232700      2.5599999E-02 -5.2800000E-02
 C   -1.369800      0.2358000       1.673800    
 C    1.380400       2.241200      -2.266800    
 C   -1.061000       1.410000       2.597000    
 C    1.156500      -1.153900     -0.7549000    
 C    2.230000      0.2928000      0.8550000    
 C    2.135000      -2.123600     -0.5363000    
 C    3.208600     -0.6769000       1.073500    
 C    3.161000      -1.885100      0.3778000    
 C   -2.950000     -0.9297000     -0.3692000    
 H   -1.944200       1.460300      1.6000001E-02
 H  -0.7064000       2.334700      -1.860400    
 H  -0.1652000      0.7634000      -2.441300    
 H  -0.7169000     -0.6125000       1.909600    
 H   -2.378900     -0.1069000       1.921500    
 H    1.588400       3.184100      -1.753200    
 H    2.244500       1.580200      -2.155500    
 H    1.280300       2.474800      -3.332400    
 H    1.335900       2.620700      0.1982000    
 H   1.3200000E-02   1.577800       2.705600    
 H   -1.434100       1.185700       3.602900    
 H   -1.549600       2.331400       2.266000    
 H   0.3877000      -1.356800      -1.491300    
 H    2.305500       1.207400       1.431300    
 H    2.101700      -3.061900      -1.082300    
 H    4.006400     -0.4933000       1.787400    
 H    3.923400      -2.639700      0.5475000    
 H   -2.236800      -2.792300     -0.9899000    
 H   -3.904100      -2.782500     -0.5201000    


%chk=000021773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021773

0 1
O 0.456717 2.296519 0.471635
O -1.665540 -0.666947 -0.151875
O -3.567874 0.485374 -0.970647
N -3.229962 -1.808777 -1.330103
C 0.141330 1.003467 -0.183663
C -1.177120 0.563299 0.546362
C -0.159827 1.264019 -1.689966
C 1.297353 0.004381 0.022370
C -1.071722 0.220988 2.045044
C 1.011635 1.897020 -2.472014
C -1.106741 1.459483 2.969862
C 1.371822 -1.199701 -0.726650
C 2.307447 0.262583 0.984104
C 2.431660 -2.111256 -0.528154
C 3.371270 -0.647036 1.182039
C 3.440180 -1.837951 0.424966
C -2.894512 -0.565834 -0.834059
H -1.924072 1.363308 0.382531
H -1.047614 1.922012 -1.744601
H -0.443349 0.312514 -2.173215
H -0.160553 -0.375985 2.232724
H -1.933117 -0.432753 2.282099
H 1.263204 2.913063 -2.107424
H 1.922046 1.273469 -2.419186
H 0.738642 2.010295 -3.536354
H 1.170474 2.737771 -0.056488
H -0.270719 2.141750 2.751293
H -1.049367 1.147806 4.029005
H -2.047219 2.025406 2.833029
H 0.594055 -1.433356 -1.460117
H 2.246260 1.179058 1.580029
H 2.471609 -3.034580 -1.117668
H 4.142308 -0.426366 1.929270
H 4.265039 -2.543463 0.575977
H -2.646053 -2.617319 -1.130489
H -4.096988 -1.907460 -1.850063


