%chk=000041215.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041215

0 1
 O    2.106000      -4.017400      8.6300001E-02
 O   -1.765300       2.648600     -0.5787000    
 O    5.291300       2.041500      0.4905000    
 O    3.367300       1.712700       1.652900    
 O   -2.659400      0.9393000       2.199200    
 N  -0.2849000      0.9420000     -0.4419000    
 C    1.959000      0.9023000     -0.5834000    
 C    1.515500     -0.4238000     -0.3703000    
 C   0.1170000     -0.3884000     -0.2794000    
 C   0.8506000       1.710600     -0.6161000    
 C    3.362800       1.339600     -0.7378000    
 C    2.189500      -1.656600     -0.2442000    
 C  -0.6192000      -1.571300     -7.4600004E-02
 C   0.8288000       3.180000     -0.8105000    
 C   -1.603300       1.445700     -0.4016000    
 C    1.456500      -2.826400     -3.5300002E-02
 C   7.0799999E-02  -2.781800      4.6900000E-02
 C   -2.809400      0.6263000     -0.1744000    
 C    3.983500       1.696400      0.5947000    
 C   -3.289400      0.4055000       1.114900    
 C   -3.466700      7.2499998E-02  -1.271300    
 C   -4.431000     -0.3723000       1.308300    
 C   -4.608500     -0.7051000      -1.078100    
 C   -5.090600     -0.9275000      0.2117000    
 C    3.529000      -3.992500     -7.8999996E-03
 H    3.443300       2.204500      -1.403600    
 H    3.961100      0.5352000      -1.181000    
 H    3.270100      -1.632400     -0.3164000    
 H   -1.695300      -1.602200     -3.8999999E-03
 H    1.833400       3.604700     -0.8928000    
 H   0.3000000       3.447300      -1.731200    
 H   0.3596000       3.683300      4.1299999E-02
 H  -0.4936000      -3.697600      0.2074000    
 H   -3.099400      0.2389000      -2.280600    
 H   -4.811700     -0.5497000       2.310400    
 H   -5.121800      -1.137900      -1.931700    
 H   -5.979300      -1.533300      0.3622000    
 H    3.976700      -3.408500      0.8034000    
 H    3.861900      -3.656300     -0.9957000    
 H    3.878400      -5.023400      0.1118000    
 H    5.674700       2.289200       1.358800    
 H   -1.891400       1.464000       1.921300    


%chk=000041215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041215

0 1
O 2.461085 -4.048213 0.055977
O -1.616613 2.343654 1.295700
O 4.958484 0.646607 0.323177
O 4.286520 2.846969 0.655326
O -4.058472 1.876198 1.858461
N -0.300787 0.846449 0.082024
C 1.884583 0.972224 -0.597674
C 1.580126 -0.422366 -0.312809
C 0.215624 -0.491488 0.102472
C 0.752767 1.732805 -0.314098
C 3.207728 1.489594 -1.118745
C 2.382214 -1.590640 -0.353484
C -0.356134 -1.708064 0.534373
C 0.547582 3.213577 -0.437479
C -1.565125 1.286760 0.558194
C 1.793285 -2.810900 0.042717
C 0.441045 -2.865246 0.491006
C -2.793688 0.564424 0.191290
C 4.177160 1.776169 0.023044
C -4.011477 0.896494 0.894152
C -2.859168 -0.380301 -0.877164
C -5.214362 0.208697 0.588843
C -4.060401 -1.028580 -1.195052
C -5.234819 -0.743841 -0.442041
C 3.858042 -4.059910 -0.380370
H 3.069861 2.432926 -1.672014
H 3.663290 0.748515 -1.797202
H 3.434616 -1.519989 -0.640174
H -1.386008 -1.771842 0.893388
H 1.426009 3.675691 -0.915703
H -0.348443 3.458246 -1.037482
H 0.408488 3.681394 0.551611
H 0.041911 -3.832667 0.808880
H -1.955117 -0.591813 -1.455698
H -6.112993 0.465195 1.156863
H -4.095571 -1.746847 -2.019641
H -6.172516 -1.257794 -0.680849
H 4.489225 -3.423246 0.270182
H 3.954221 -3.721941 -1.431058
H 4.178067 -5.108904 -0.296911
H 5.537710 0.848290 1.108146
H -3.141352 2.339413 1.869421


