%chk=000059539.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059539

1 1
 O    2.473300      0.3791000       1.151300    
 O   -3.594900       1.744700      0.8046000    
 O   0.5984000       2.786000     -0.8917000    
 N    4.677700     -0.9471000      1.5200000E-02
 N   -2.067700      3.3199999E-02  0.4224000    
 N    1.359100      0.2136000     -0.8880000    
 N   -1.514800       2.303300     -4.1700002E-02
 C    3.709500     -0.2094000     -0.8314000    
 C    5.934500      -1.316000     -0.7861000    
 C    5.112300     -9.5700003E-02   1.216800    
 C    4.057200      -2.245200      0.5512000    
 C   -3.010600     -0.9867000      0.8920000    
 C    2.467700      0.1606000     -5.7599999E-02
 C  -0.7990000     -0.3744000     -8.8999998E-03
 C   0.1005000      0.5256000     -0.4493000    
 C   -3.853500      -1.505900     -0.2716000    
 C   -2.476200       1.381300      0.4243000    
 C  -0.2346000       1.974900     -0.4866000    
 C   -4.830100      -2.587200      0.1928000    
 C  -0.5005000      -1.859100      4.6500001E-02
 C   -1.910800       3.708700     -5.1300000E-02
 C   -5.697400      -3.084100     -0.9529000    
 H    3.459800     -0.8471000      -1.687900    
 H    4.187900      0.7058000      -1.198900    
 H    6.407200     -0.3878000      -1.120400    
 H    6.610500      -1.884900     -0.1410000    
 H    5.625800      -1.921000      -1.643700    
 H    4.413100     -0.2100000       2.047400    
 H    6.084600     -0.4662000       1.559400    
 H    5.213300      0.9456000      0.8977000    
 H    4.822100      -2.774600       1.127900    
 H    3.204000      -2.017100       1.194000    
 H    3.741700      -2.849400     -0.3047000    
 H   -3.681000     -0.5235000       1.627200    
 H   -2.510300      -1.792300       1.436200    
 H   -3.224700      -1.901500      -1.075900    
 H   -4.417400     -0.6733000     -0.7116000    
 H    1.518900      0.3049000      -1.888400    
 H   -5.475400      -2.191400      0.9856000    
 H   -4.274500      -3.431900      0.6165000    
 H  -0.4561000      -2.209600       1.082800    
 H   0.4737000      -2.099300     -0.3933000    
 H   -1.224800      -2.453000     -0.5145000    
 H   -2.797900       3.819900     -0.6832000    
 H   -1.118900       4.362800     -0.4236000    
 H   -2.175500       4.006500      0.9685000    
 H   -6.387000      -3.856700     -0.5986000    
 H   -6.290500      -2.268400      -1.378500    
 H   -5.084200      -3.515900      -1.750300    


%chk=000059539-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059539

1 1
O 2.157444 -1.472649 0.776836
O -3.561795 1.693564 0.736086
O 0.698490 2.638876 -0.997341
N 4.948653 -0.889297 0.099376
N -2.068687 -0.082976 0.366658
N 1.477983 0.117156 -0.822487
N -1.457864 2.196069 -0.143987
C 3.786171 -0.640435 -0.882462
C 6.252710 -0.550828 -0.625473
C 4.819420 0.002950 1.339083
C 4.985071 -2.363843 0.528650
C -3.142197 -1.004870 0.857855
C 2.392509 -0.703258 -0.209102
C -0.823781 -0.550170 -0.058544
C 0.138571 0.386722 -0.414426
C -4.135355 -1.431502 -0.245156
C -2.432644 1.298049 0.349275
C -0.163809 1.814368 -0.536905
C -5.237779 -2.356245 0.321115
C -0.586335 -2.036525 -0.147579
C -1.852581 3.624491 -0.219894
C -6.248433 -2.796163 -0.759294
H 3.865175 -1.415692 -1.665490
H 3.964160 0.344593 -1.348550
H 6.280551 0.528173 -0.841817
H 7.099023 -0.822943 0.023137
H 6.304867 -1.124897 -1.563268
H 3.941953 -0.318773 1.916250
H 5.734911 -0.105391 1.940368
H 4.703507 1.049704 1.016988
H 5.803628 -2.492810 1.253273
H 4.012424 -2.609199 0.978139
H 5.169829 -2.984955 -0.361891
H -3.688488 -0.455750 1.642781
H -2.659124 -1.878509 1.325870
H -3.602118 -1.949583 -1.068132
H -4.600139 -0.526313 -0.678651
H 1.824102 0.899518 -1.407721
H -5.774333 -1.827378 1.133927
H -4.773607 -3.252591 0.781649
H -0.223077 -2.444008 0.812663
H 0.193345 -2.243133 -0.897114
H -1.498253 -2.575902 -0.446378
H -2.724420 3.736566 -0.883963
H -0.993811 4.186101 -0.613552
H -2.129705 3.988532 0.782240
H -7.029420 -3.448876 -0.330775
H -6.752272 -1.922272 -1.211590
H -5.749968 -3.356893 -1.571980


