%chk=000041274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041274

0 1
 O   -3.085000     -0.4612000       1.620100    
 O   0.6857000      0.7867000      4.7100000E-02
 N    4.895700      0.3098000      0.1097000    
 N   -5.155500       1.380400      -1.386400    
 C   0.2668000      -1.448700     -0.6615000    
 C  -2.7400000E-02  -2.321500      0.5823000    
 C   -1.008500     -0.9343000      -1.371700    
 C  -0.9307000      -1.635900       1.629100    
 C   -2.069300     -0.5570000     -0.3976000    
 C   -2.007400     -0.9047000      0.9324000    
 C    1.157900     -0.3026000     -0.2743000    
 C   -3.286200      0.1536000     -0.5553000    
 C    2.651800     -0.5764000     -0.3085000    
 C    3.473700      0.6292000      0.1352000    
 C   -3.871900      0.1861000      0.7099000    
 C   -3.964000      0.7705000      -1.608200    
 C    5.691200       1.463100      0.5346000    
 C    5.303600     -0.1224000      -1.228400    
 C   -5.086400      0.7976000      0.9810000    
 C   -5.672700       1.379600     -0.1326000    
 C    5.293600       1.924200       1.899400    
 C    6.744900     -0.5161000      -1.256300    
 H   0.8198000      -2.050200      -1.394600    
 H   0.9026000      -2.639000       1.068100    
 H  -0.5271000      -3.237700      0.2392000    
 H   -1.404700      -1.737300      -2.006400    
 H  -0.7777000     -8.7600000E-02  -2.029100    
 H  -0.3401000     -0.9311000       2.225200    
 H   -1.343000      -2.385000       2.313000    
 H    2.842600     -0.8410000      -1.352500    
 H    2.862400      -1.440800      0.3302000    
 H    3.244100       1.495200     -0.5002000    
 H    3.139100      0.8727000       1.149600    
 H   -3.590900      0.7974000      -2.624700    
 H    5.613300       2.294900     -0.1772000    
 H    6.749700       1.192300      0.6065000    
 H    5.103900      0.6454000      -1.986500    
 H    4.774800      -1.030300      -1.529400    
 H   -5.532600      0.8182000       1.965300    
 H   -6.628100       1.888300     -3.9900001E-02
 H    4.343800       2.468600       1.904100    
 H    5.229400       1.095700       2.613800    
 H    6.044900       2.622000       2.287700    
 H    7.420500      0.3449000      -1.233000    
 H    7.005400      -1.189600     -0.4320000    
 H    6.966800      -1.050700      -2.187500    


%chk=000041274-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041274

0 1
O -2.716322 -0.636275 1.763443
O 0.732760 1.124264 -1.073854
N 4.827205 0.490385 0.014367
N -5.445063 1.346974 -0.720732
C 0.185900 -1.258982 -1.279188
C 0.138555 -2.304615 -0.116505
C -1.235476 -0.788696 -1.693121
C -0.514428 -1.738816 1.176748
C -2.100159 -0.557283 -0.478378
C -1.743937 -0.992281 0.779664
C 1.117099 -0.069578 -0.949543
C -3.379720 0.121983 -0.332617
C 2.540011 -0.400926 -0.492286
C 3.507300 0.795249 -0.595892
C -3.718491 0.051863 1.052912
C -4.290398 0.792220 -1.187787
C 5.500018 1.708371 0.548535
C 5.706532 -0.296857 -0.894748
C -4.892850 0.608439 1.571283
C -5.724834 1.249858 0.620923
C 4.894318 2.190464 1.880337
C 6.771346 -1.118409 -0.142847
H 0.658816 -1.768115 -2.147031
H 1.153174 -2.676782 0.110572
H -0.453465 -3.171180 -0.466695
H -1.699417 -1.546815 -2.355214
H -1.149151 0.147008 -2.275710
H 0.188715 -1.071052 1.715734
H -0.758593 -2.562841 1.873385
H 2.911642 -1.280828 -1.054060
H 2.510566 -0.720145 0.570384
H 3.599497 1.113533 -1.663360
H 3.050574 1.646721 -0.064481
H -4.103135 0.895539 -2.262400
H 5.483766 2.541091 -0.199320
H 6.563435 1.459868 0.716998
H 6.201204 0.362918 -1.652557
H 5.065847 -0.995142 -1.465566
H -5.156650 0.559964 2.630439
H -6.664076 1.713861 0.940533
H 3.830251 2.468382 1.773248
H 4.963650 1.392071 2.639570
H 5.435626 3.081042 2.250813
H 7.460672 -0.473718 0.431616
H 6.286074 -1.810903 0.566800
H 7.380416 -1.706528 -0.854713


