%chk=000098137.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098137

0 1
 O    2.430800     -0.6059000     -0.1902000    
 O   -2.034000     -0.6891000     -0.6534000    
 O  -0.6068000      -2.400100       2.305400    
 O    1.683200      0.7411000      -1.911500    
 O   -1.000600      0.6907000      -2.191300    
 N   0.1348000      -1.358600      0.3436000    
 C   3.6899999E-02  0.8622000       1.031400    
 C   0.1666000     -2.6799999E-02 -0.2096000    
 C  -0.5831000       2.232500      0.7934000    
 C  -0.7767000      5.2999998E-03   2.011400    
 C  -0.4123000      -1.406700       1.622100    
 C    1.494600      9.8399997E-02 -0.8877000    
 C   -1.001500      5.1600002E-02  -1.147900    
 C  -0.7143000       3.003100       2.107100    
 C   0.2426000       3.033000     -0.2139000    
 C    3.755100     -0.5723000     -0.7317000    
 C   -3.220200     -0.7020000      -1.453800    
 C    4.669500      -1.395300      0.1503000    
 C   -4.264700      -1.561200     -0.7738000    
 H    1.033900       1.004600       1.476800    
 H   -1.597600       2.127000      0.3884000    
 H  -0.4858000      0.1922000       3.049100    
 H   -1.857600      0.1362000       1.899400    
 H   0.4275000      -2.190500     -0.1609000    
 H   -1.390500       2.500600       2.805800    
 H   -1.123200       4.004000       1.929500    
 H   0.2580000       3.121900       2.597500    
 H  -0.1080000       4.070800     -0.2544000    
 H    1.301500       3.057500      6.5499999E-02
 H   0.1593000       2.648100      -1.230100    
 H    4.108600      0.4643000     -0.7667000    
 H    3.745500     -0.9880000      -1.745400    
 H   -2.988800      -1.113000      -2.442700    
 H   -3.596600      0.3211000      -1.563800    
 H    5.692800      -1.391500     -0.2354000    
 H    4.675000      -1.002300       1.172300    
 H    4.317600      -2.430600      0.2100000    
 H   -5.187500      -1.592800      -1.359600    
 H   -3.894900      -2.583100     -0.6400000    
 H   -4.492000      -1.172700      0.2245000    


%chk=000098137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098137

0 1
O 2.351567 -0.856290 -0.569046
O -1.623058 -0.814127 -0.400880
O -0.564981 -1.853793 3.422772
O 2.587877 1.314217 0.244992
O -0.187943 0.273280 -1.877711
N 0.416534 -1.099094 1.421659
C -0.104869 1.229662 1.459788
C 0.434720 0.064084 0.525110
C -0.875722 2.392987 0.775619
C -0.925580 0.469197 2.536643
C -0.366564 -0.956712 2.563240
C 1.891972 0.297857 0.053763
C -0.457070 -0.141376 -0.727966
C -1.409843 3.368798 1.855623
C -0.015646 3.177769 -0.247024
C 3.755204 -0.817861 -1.094427
C -2.587833 -1.048294 -1.526642
C 4.033136 -2.183223 -1.711679
C -3.773479 -1.804239 -0.938979
H 0.800797 1.660978 1.930351
H -1.754271 1.961949 0.247276
H -0.856715 0.921425 3.538199
H -1.996431 0.408823 2.264575
H 0.837571 -1.988672 1.148123
H -2.090428 2.875675 2.572141
H -1.965142 4.197464 1.379806
H -0.572214 3.812605 2.427489
H -0.592470 4.034236 -0.642931
H 0.899128 3.569175 0.233715
H 0.295363 2.556719 -1.103152
H 4.430495 -0.582133 -0.252332
H 3.813591 0.003114 -1.830880
H -2.060708 -1.621153 -2.310509
H -2.868872 -0.065600 -1.946780
H 5.056942 -2.201007 -2.127437
H 3.953197 -2.984617 -0.957290
H 3.323357 -2.397149 -2.528486
H -4.510964 -2.014951 -1.734826
H -3.451493 -2.763403 -0.499737
H -4.272055 -1.212619 -0.152469


