%chk=000004213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004213

0 1
 O    1.723600     -0.8362000      0.5888000    
 O    1.191300       2.645000     -5.3599998E-02
 O    3.676400       1.401400      -1.424900    
 O    3.991900      -2.501300      0.6652000    
 O   -1.762300       1.417100       1.350800    
 O   -4.584300      0.7108000      0.6444000    
 N  -0.4874000     -0.1354000      0.1173000    
 N   -2.054600      -1.323400     -0.9187000    
 N   -4.876600      -1.049300     -0.7962000    
 C    1.479000       1.309000     -0.4280000    
 C    2.951100      0.9870000     -0.2829000    
 C   0.8449000      0.3041000      0.5271000    
 C    2.919600     -0.5270000     -0.1473000    
 C    4.124300      -1.091600      0.5840000    
 C   -1.684600      0.3955000      0.5117000    
 C  -0.7617000      -1.164900     -0.7414000    
 C   -2.635600     -0.3536000     -0.1408000    
 C   -4.054900     -0.1872000     -5.5399999E-02
 H    1.145700       1.171100      -1.464100    
 H    3.376400       1.480000      0.5988000    
 H   0.7541000      0.7036000       1.544200    
 H    2.828400      -1.017400      -1.125000    
 H    4.177900     -0.7042000       1.606800    
 H    5.052900     -0.8532000      5.6400001E-02
 H   0.2257000       2.755400     -8.4399998E-02
 H    3.303800      0.9549000      -2.204100    
 H   1.0500000E-02  -1.758700      -1.211400    
 H    4.773800      -2.835700       1.136600    
 H   -2.706200       1.615400       1.479300    
 H   -4.493800      -1.785000      -1.381600    
 H   -5.886700     -0.9597000     -0.7672000    


%chk=000004213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004213

0 1
O 1.849835 -0.968567 0.738043
O 1.023207 2.577039 0.575854
O 3.557827 1.730297 -1.170954
O 4.332780 -2.449338 -0.223924
O -1.660691 1.707731 0.212267
O -4.075858 1.306810 -0.442546
N -0.461061 -0.431441 0.370790
N -2.155342 -1.871614 -0.170473
N -4.953939 -0.833160 -0.826157
C 1.331581 1.300006 -0.017442
C 2.852775 1.055688 -0.093392
C 0.845936 0.087011 0.838537
C 2.939629 -0.491564 -0.174927
C 4.269912 -1.068003 0.271648
C -1.583029 0.344833 0.136086
C -0.862033 -1.778172 0.180156
C -2.620938 -0.541179 -0.197445
C -3.929618 0.006498 -0.499011
H 0.898486 1.204551 -1.040758
H 3.326503 1.433213 0.829208
H 0.752735 0.390746 1.899116
H 2.724825 -0.839450 -1.207854
H 4.332977 -1.022830 1.378548
H 5.079335 -0.448840 -0.171350
H 0.030707 2.688746 0.530053
H 3.079069 1.584481 -2.027264
H -0.158977 -2.596108 0.301321
H 5.152631 -2.886904 0.115991
H -2.697348 1.868110 -0.041074
H -4.783866 -1.838669 -0.853612
H -5.875449 -0.453422 -1.035034


