%chk=000076055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076055

0 1
 O    5.081900      5.1100001E-02 -0.4435000    
 O    4.461100      -2.159200     -0.2760000    
 N   -4.214400     -0.2918000     -7.4000001E-02
 N  -0.8303000       1.098700      0.6547000    
 N   0.7520000       2.631900      0.3222000    
 N   0.4867000     -0.9293000      0.4497000    
 C   -2.913900      0.2926000     -0.3768000    
 C   -2.136500      0.5427000      0.9123000    
 C   -4.056300      -1.566500      0.6288000    
 C   -4.993100     -0.4814000      -1.299300    
 C   0.3288000      0.4048000      0.4505000    
 C    1.300400       1.374600      0.2456000    
 C  -0.5253000       2.430600      0.5683000    
 C   -5.404500      -2.154300       1.009700    
 C   -5.169900      0.8299000      -2.045800    
 C    2.611900      0.9445000      6.6000000E-03
 C    2.839900     -0.4318000     -6.3999998E-03
 C    1.770700      -1.294400      0.2148000    
 C    4.173900     -0.9543000     -0.2480000    
 C    6.436700     -0.3385000     -0.6934000    
 H   -3.013700       1.266800     -0.8674000    
 H   -2.334200     -0.3500000      -1.053300    
 H   -1.940300     -0.3607000       1.495000    
 H   -2.672000       1.243500       1.564800    
 H   -3.483800      -2.293900      3.9700001E-02
 H   -3.545000      -1.437900       1.585400    
 H   -4.535900      -1.224700      -1.964700    
 H   -6.005100     -0.8257000      -1.063000    
 H   -1.270700       3.204800      0.6912000    
 H   -6.050600      -1.411900       1.490900    
 H   -5.931700      -2.582900      0.1519000    
 H   -5.259900      -2.972200       1.724900    
 H   -5.488000       1.639400      -1.379800    
 H   -4.262800       1.136800      -2.575800    
 H   -5.948200      0.7134000      -2.808800    
 H    3.390000       1.681100     -0.1567000    
 H    1.916100      -2.372300      0.2107000    
 H    6.831500     -0.8975000      0.1601000    
 H    7.032600      0.5681000     -0.8272000    
 H    6.494200     -0.9367000      -1.607400    


%chk=000076055-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076055

0 1
O 5.197918 -0.114531 -0.288803
O 4.410324 -2.222094 0.321905
N -4.103256 -0.491325 -0.295232
N -0.853400 1.367566 0.310472
N 0.834123 2.819524 -0.290914
N 0.452444 -0.705506 0.583293
C -2.847217 0.193512 -0.670583
C -2.202379 0.840650 0.583126
C -3.875738 -1.891563 0.163953
C -5.184902 -0.367701 -1.308203
C 0.322364 0.614001 0.294430
C 1.368969 1.529787 -0.077206
C -0.481511 2.671408 -0.052793
C -4.945773 -2.378197 1.159043
C -5.818335 1.036160 -1.340058
C 2.680279 1.027937 -0.161734
C 2.853667 -0.349583 0.132193
C 1.730748 -1.163196 0.495707
C 4.185728 -1.010253 0.077293
C 6.558501 -0.694092 -0.370765
H -3.061673 0.983459 -1.413045
H -2.108548 -0.500252 -1.135425
H -2.111113 0.084353 1.381347
H -2.843118 1.657775 0.955118
H -3.817145 -2.593322 -0.705150
H -2.885938 -1.930127 0.656103
H -4.823105 -0.644606 -2.330479
H -5.970054 -1.099866 -1.046591
H -1.214942 3.473851 -0.117277
H -4.973482 -1.716228 2.042044
H -5.955395 -2.386853 0.709595
H -4.720212 -3.407847 1.493618
H -6.229618 1.289053 -0.347312
H -5.083540 1.815507 -1.614423
H -6.635783 1.074922 -2.083941
H 3.530365 1.655632 -0.437975
H 1.894944 -2.221735 0.719299
H 6.856042 -1.111528 0.605847
H 7.204784 0.147355 -0.656934
H 6.587278 -1.494649 -1.129043


