%chk=000149697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149697

0 1
 O    4.739200       2.818600     -0.4204000    
 O  -0.1553000       2.628800      1.8500000E-02
 O   -7.290300     -0.9710000     -0.7501000    
 N   0.5943000      0.4258000      0.1556000    
 N    6.005700      0.1173000     -0.7412000    
 N   -2.499700      0.8007000       1.242400    
 C    2.670800     -0.6464000      0.4783000    
 C    1.623100      -1.701800      0.4743000    
 C    2.354300      -1.400100       1.751300    
 C   0.3020000      -1.037900      0.2203000    
 C    1.980100      0.6398000      0.1874000    
 C    4.092200     -0.7289000     -5.7300001E-02
 C    4.733700      0.4519000     -0.3565000    
 C    2.628400       1.788400     -9.3599997E-02
 C    4.956600      -1.807700     -0.2823000    
 C    4.126500       1.763800     -0.2845000    
 C  -0.3931000       1.423200      7.3600002E-02
 C    6.145700      -1.252800     -0.7126000    
 C    4.688500      -3.245500     -9.8600000E-02
 C   -1.776800      0.9568000      9.5500000E-02
 C   -2.568600      0.6077000     -0.9679000    
 C   -3.835100      0.2199000     -0.4477000    
 C   -3.765200      0.3502000      0.9410000    
 C   -5.037900     -0.2309000      -1.026800    
 C   -4.842300      5.1100001E-02   1.782900    
 C   -6.123700     -0.5339000     -0.1971000    
 C   -6.025100     -0.3943000       1.185800    
 C   -7.328100      -1.092800      -2.170200    
 H    1.767800      -2.646700     -2.1100000E-02
 H    1.827000     -0.8819000       2.544900    
 H    3.045700      -2.146200       2.121400    
 H  -0.1232000      -1.344000     -0.7413000    
 H  -0.4149000      -1.241300       1.021600    
 H    2.148200       2.732800     -0.3094000    
 H    6.723800      0.7693000      -1.025400    
 H    7.085300      -1.705500     -0.9980000    
 H    5.538400      -3.852000     -0.4304000    
 H    4.510100      -3.482900      0.9538000    
 H    3.819000      -3.559200     -0.6836000    
 H   -2.276100      0.6260000      -2.009200    
 H   -2.160500      0.9859000       2.176500    
 H   -5.055500     -0.3199000      -2.106300    
 H   -4.766400      0.1593000       2.859600    
 H   -6.877700     -0.6339000       1.817200    
 H   -6.614900      -1.842400      -2.529900    
 H   -7.196100     -0.1230000      -2.661900    
 H   -8.327800      -1.451200      -2.437000    


%chk=000149697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149697

0 1
O 4.689732 2.868604 0.686601
O -0.144834 2.033994 1.331395
O -7.603763 -0.542433 -0.781680
N 0.639539 0.054524 0.367476
N 6.145137 0.466756 -0.220477
N -2.729224 1.493479 0.997372
C 2.805167 -0.907208 0.250864
C 1.775004 -1.975276 -0.197836
C 2.356489 -2.074152 1.201258
C 0.420501 -1.278421 -0.280594
C 2.031241 0.362074 0.466644
C 4.227524 -0.733906 -0.105661
C 4.792532 0.543477 0.085579
C 2.623132 1.591060 0.659856
C 5.277811 -1.618233 -0.541264
C 4.085920 1.749215 0.515857
C -0.393517 0.927356 0.739110
C 6.448573 -0.832897 -0.604843
C 5.186250 -3.083769 -0.892304
C -1.808663 0.585527 0.451937
C -2.533978 -0.388993 -0.271900
C -3.930553 -0.061093 -0.158986
C -4.022261 1.130165 0.647400
C -5.115884 -0.667705 -0.668769
C -5.269761 1.725768 0.956120
C -6.348703 -0.066925 -0.356782
C -6.424444 1.118217 0.447530
C -7.615975 -1.747811 -1.609162
H 2.021603 -2.720484 -0.955861
H 1.725019 -1.818226 2.058182
H 3.117218 -2.833822 1.394195
H 0.106364 -1.139916 -1.333057
H -0.363045 -1.835465 0.260916
H 2.032455 2.483720 0.866727
H 6.771353 1.270032 -0.165110
H 7.453580 -1.123689 -0.904445
H 6.165536 -3.472481 -1.221371
H 4.863692 -3.701451 -0.032077
H 4.469184 -3.264542 -1.715665
H -2.133199 -1.222960 -0.839920
H -2.407778 2.305475 1.528612
H -5.052315 -1.571286 -1.281502
H -5.339870 2.630244 1.568652
H -7.417190 1.531264 0.649736
H -7.182302 -2.612404 -1.068303
H -7.064204 -1.591443 -2.557357
H -8.676991 -1.940759 -1.825494


