%chk=000025941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025941

0 1
 O   -1.330500     -0.7861000      0.6732000    
 O   -1.109000       1.059800      -2.025200    
 O   -3.442300      -1.598300       1.045000    
 N  -0.3713000       1.819700      4.3900002E-02
 C  -0.4658000     -0.5960000     -0.4607000    
 C   -1.002700      -1.581300      -1.491300    
 C   -2.479600      -1.659700      -1.173800    
 C  -0.6800000      0.8310000     -0.8911000    
 C   0.9940000     -0.8078000     -0.1068000    
 C   -2.505000      -1.374600      0.2949000    
 C   8.9900002E-02   3.145700     -0.3472000    
 C  -0.4880000       1.597900       1.483000    
 C    1.989200     -0.5971000      -1.066400    
 C    1.354800      -1.214700       1.181700    
 C    1.604600       3.190100     -0.4559000    
 C   -1.872800       1.969500       1.985200    
 C    3.331600     -0.7915000     -0.7410000    
 C    2.697300      -1.409000       1.506900    
 C    3.685600      -1.197400      0.5455000    
 H  -0.5612000      -2.574400      -1.328400    
 H  -0.8054000      -1.318200      -2.535500    
 H   -2.880800      -2.653200      -1.387100    
 H   -3.055200     -0.8928000      -1.699000    
 H  -0.3366000       3.388700      -1.326700    
 H  -0.2753000       3.892500      0.3656000    
 H  -0.2274000      0.6107000       1.832500    
 H   0.2425000       2.249600       1.979700    
 H    1.731000     -0.2833000      -2.074500    
 H   0.6157000      -1.422000       1.950000    
 H    2.081400       2.925800      0.4933000    
 H    1.964400       2.490600      -1.217000    
 H    1.935200       4.194800     -0.7367000    
 H   -2.092300       3.025100       1.793300    
 H   -2.653500       1.379400       1.496800    
 H   -1.942500       1.803400       3.064800    
 H    4.101100     -0.6274000      -1.489600    
 H    2.973100      -1.732300       2.506500    
 H    4.730700      -1.350300      0.7984000    


%chk=000025941-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025941

0 1
O -1.328323 -0.794698 0.710321
O -0.486248 1.104804 -2.170687
O -3.538893 -1.456216 0.944058
N -0.361700 1.906085 0.002452
C -0.346357 -0.606392 -0.413905
C -0.878682 -1.564802 -1.523655
C -2.402502 -1.568410 -1.295869
C -0.412721 0.878627 -0.914626
C 1.055765 -0.983910 0.062434
C -2.559259 -1.302289 0.201141
C -0.385587 3.292603 -0.538671
C -0.204723 1.777539 1.474573
C 2.178810 -0.578442 -0.702735
C 1.249330 -1.790093 1.210838
C 1.015738 3.773647 -0.969779
C -1.510903 2.037930 2.253311
C 3.479171 -0.976015 -0.322391
C 2.552645 -2.182393 1.590174
C 3.671495 -1.779281 0.825454
H -0.453847 -2.569937 -1.361900
H -0.589019 -1.190100 -2.515392
H -2.906410 -2.508956 -1.567257
H -2.895147 -0.746674 -1.848629
H -1.066441 3.310106 -1.406188
H -0.801224 3.950288 0.245400
H 0.177724 0.776278 1.716940
H 0.572046 2.505439 1.783002
H 2.034588 0.040331 -1.596607
H 0.381781 -2.093911 1.804877
H 1.732041 3.736887 -0.128841
H 1.396835 3.141195 -1.789003
H 0.965678 4.816646 -1.332216
H -1.936374 3.031017 2.020293
H -2.259717 1.264706 2.017830
H -1.309395 2.003286 3.339711
H 4.340266 -0.659108 -0.921275
H 2.693490 -2.802873 2.482309
H 4.680969 -2.086016 1.120805


