%chk=000084723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084723

0 1
 O    1.318800       1.437200     -0.3716000    
 O    4.629900     -0.8048000      0.6881000    
 O   8.4899999E-02 -0.4849000     -0.8285000    
 O    4.112700       1.399100     -0.9158000    
 O    1.100800       4.147500      2.6000001E-02
 O    1.373900      -3.120100      -1.355000    
 O   -5.742400       1.510300      0.3758000    
 O   -6.033500     -0.6582000      0.5539000    
 N    2.005600      -2.067900      0.6226000    
 N   -5.300200      0.3367000      0.3374000    
 C    2.294400     -0.7617000      6.7199998E-02
 C    3.413800     -8.2199998E-02  0.8639000    
 C    3.607400       1.369500      0.4207000    
 C    2.267700       2.109200      0.4639000    
 C    1.028800      0.1083000      6.2700003E-02
 C    2.380700       3.544100     -3.7599999E-02
 C    1.569300      -3.134300     -0.1426000    
 C   -1.237200     -0.2834000     -0.5422000    
 C    1.369500      -4.379300      0.6795000    
 C   -1.744100       1.011900     -0.4968000    
 C   -2.066100      -1.374500     -0.2989000    
 C   -3.092500       1.218000     -0.2051000    
 C   -3.414500      -1.168200     -7.3000002E-03
 C   -3.927600      0.1280000      3.9600000E-02
 H    2.629300     -0.9227000     -0.9660000    
 H    3.176400     -9.6600004E-02   1.935500    
 H    4.354500       1.860700       1.053300    
 H    1.866800       2.124000       1.486000    
 H   0.6062000      0.1475000       1.078000    
 H    2.704300       3.578300      -1.082800    
 H    3.078200       4.121800      0.5767000    
 H    2.076700      -2.184500       1.629600    
 H    4.464800      -1.723100      0.9623000    
 H    3.404100       1.114300      -1.517100    
 H    1.197600       5.060400     -0.2946000    
 H   0.9563000      -5.173800      5.2099999E-02
 H    2.328600      -4.708700       1.088700    
 H   0.6723000      -4.178100       1.498000    
 H   -1.119400       1.874900     -0.7027000    
 H   -1.670400      -2.385600     -0.3339000    
 H   -3.458600       2.241200     -0.1811000    
 H   -4.035000      -2.041200      0.1781000    


%chk=000084723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084723

0 1
O 1.210430 1.256389 -0.385818
O 4.771346 -0.750529 0.494676
O -0.037663 -0.739465 -0.424479
O 3.881354 1.336022 -1.361960
O 0.954287 4.058542 0.446401
O 2.285569 -3.453942 -1.107995
O -5.763917 1.956528 0.549095
O -6.360230 -0.046639 -0.367572
N 2.196272 -2.178576 0.842049
N -5.474585 0.802303 0.042058
C 2.305991 -0.888081 0.152500
C 3.508848 -0.067674 0.706798
C 3.593722 1.346368 0.069666
C 2.246367 2.055197 0.333744
C 1.015271 -0.042781 0.266395
C 2.147095 3.479220 -0.190206
C 2.125979 -3.392982 0.142630
C -1.359007 -0.272182 -0.281829
C 1.854060 -4.620380 1.004309
C -1.702957 0.998719 0.248859
C -2.354420 -1.176094 -0.729883
C -3.062904 1.343326 0.357536
C -3.709278 -0.826221 -0.628390
C -4.050303 0.430826 -0.074758
H 2.471197 -1.130416 -0.914523
H 3.338564 0.085012 1.803089
H 4.440748 1.887131 0.525364
H 2.013589 2.066870 1.421266
H 0.725344 0.135085 1.331485
H 2.067364 3.467830 -1.294153
H 3.062564 4.037397 0.096411
H 2.003670 -2.180923 1.846842
H 4.630666 -1.723954 0.628533
H 3.070223 1.007833 -1.834283
H 0.697778 4.892999 -0.018146
H 2.582387 -5.407925 0.750031
H 1.901367 -4.422113 2.089187
H 0.851361 -5.014271 0.760750
H -0.930756 1.725386 0.515302
H -2.042585 -2.137330 -1.147569
H -3.369784 2.313075 0.757766
H -4.502222 -1.500481 -0.961175


