%chk=000003439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003439

0 1
 O   -3.538200      -1.239300       1.783800    
 O    4.103300       2.589600     -0.1908000    
 O    6.165600      -1.219400      -2.769000    
 O    3.902400      -1.379200      -2.817700    
 O    5.243800      -3.512500       2.375200    
 O    6.774800      -1.839000       2.430600    
 N   -2.220100       2.668300      0.6249000    
 N    3.607500      0.4202000     -0.8443000    
 N   -5.202500      -2.572300      0.7090000    
 N   -6.198100      -1.513900      -1.245600    
 N   -5.558100      0.6541000      -2.004100    
 N   -6.860500      -3.645700     -0.5426000    
 C   -3.240800       1.931400     -9.3699999E-02
 C   -3.573600      0.5790000      0.4565000    
 C    4.961400      1.3300000E-02  -1.123400    
 C    5.673000     -0.5607000      0.1078000    
 C  -0.8537000       2.426000      0.3729000    
 C   -4.522500     -0.3477000     -3.8600001E-02
 C    1.848700       1.948200     -0.1276000    
 C    5.059900      -1.836200      0.6999000    
 C   -2.621700       3.667000       1.595500    
 C   -4.467200      -1.450700      0.8077000    
 C   0.1213000       3.149500       1.059700    
 C  -0.4776000       1.463600     -0.5641000    
 C   -3.004300     -9.7000003E-03   1.562200    
 C    3.287900       1.693900     -0.3945000    
 C    1.472400       2.910600      0.8093000    
 C   0.8737000       1.224700     -0.8143000    
 C   -5.429700     -0.4106000      -1.093600    
 C    4.921000     -0.9353000      -2.303700    
 C    5.790700      -2.355100       1.919400    
 C   -6.038900      -2.512100     -0.3471000    
 H   -3.007500       1.870000      -1.163300    
 H   -4.171500       2.516100     -6.8300001E-02
 H    5.507400      0.9047000      -1.458200    
 H    5.701900      0.2080000      0.8915000    
 H    6.720200     -0.7675000     -0.1489000    
 H    2.889700     -0.2939000     -0.9113000    
 H    5.069400      -2.630900     -5.4200001E-02
 H    4.022700      -1.643900      0.9955000    
 H   -2.228700       3.433400       2.591400    
 H   -2.289800       4.666700       1.294200    
 H   -3.711700       3.713900       1.699400    
 H  -0.1202000       3.908800       1.797000    
 H   -1.184700      0.8662000      -1.128700    
 H   -2.246700      0.2938000       2.270300    
 H    2.217700       3.481300       1.357200    
 H    1.123500      0.4882000      -1.572400    
 H   -6.229400      0.5680000      -2.755600    
 H   -5.013200       1.497700      -1.917200    
 H    6.137700      -1.820800      -3.543500    
 H   -6.788900      -4.426800      9.4599999E-02
 H   -7.508400      -3.661600      -1.318100    
 H    5.725500      -3.862000       3.155000    


%chk=000003439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003439

0 1
O -4.181074 -1.208759 1.950352
O 4.278541 2.294538 0.450126
O 6.802378 -0.756377 -2.723114
O 4.534248 -1.189268 -2.959172
O 5.716222 -3.570532 2.100551
O 7.114291 -1.749050 2.444806
N -2.216630 2.440559 0.566452
N 3.887775 0.429920 -0.862166
N -6.037290 -2.327016 0.901812
N -6.796517 -1.325972 -1.217583
N -5.820910 0.559076 -2.183848
N -7.829595 -3.221599 -0.313486
C -3.230937 1.738353 -0.231958
C -3.820437 0.507044 0.429338
C 5.321710 0.236022 -1.096207
C 6.075088 -0.376244 0.125283
C -0.849717 2.182310 0.401999
C -4.933530 -0.308882 -0.040702
C 1.961840 1.675009 0.048784
C 5.518790 -1.747282 0.544657
C -2.678339 3.516975 1.455686
C -5.122089 -1.344244 0.916763
C 0.136698 3.069038 0.940250
C -0.388741 1.021446 -0.298993
C -3.402959 -0.064265 1.613921
C 3.440149 1.500633 -0.096680
C 1.503751 2.812515 0.763256
C 0.984418 0.783539 -0.471637
C -5.843186 -0.350963 -1.147182
C 5.470995 -0.630554 -2.340499
C 6.215208 -2.298082 1.772577
C -6.853862 -2.258111 -0.205142
H -2.788859 1.466846 -1.212607
H -4.049281 2.456385 -0.450881
H 5.791879 1.220748 -1.290278
H 5.981661 0.344356 0.954647
H 7.147151 -0.453248 -0.125836
H 3.252144 -0.143928 -1.421877
H 5.612659 -2.502186 -0.260595
H 4.436860 -1.677885 0.769365
H -2.164524 3.469909 2.433211
H -2.510389 4.526143 1.024362
H -3.757090 3.392253 1.643630
H -0.167686 3.970774 1.478588
H -1.103360 0.280011 -0.668684
H -2.611335 0.182013 2.314420
H 2.259036 3.494829 1.167566
H 1.273791 -0.133332 -0.999713
H -6.503047 0.443645 -2.930879
H -5.135151 1.305739 -2.233680
H 6.866830 -1.330575 -3.533783
H -7.904115 -3.929111 0.412000
H -8.452600 -3.210647 -1.115479
H 6.184038 -3.903115 2.914353


