%chk=000161650.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161650

0 1
 O    2.102500     -0.9530000      0.6527000    
 O   0.2413000       2.686000      7.3799998E-02
 O    2.975900       2.335000     -0.7607000    
 O   0.6639000      -1.445800      -1.161600    
 O    4.777600      -1.391700      0.3276000    
 O   -2.138500     -0.4625000       2.003000    
 O   -5.020100      0.1993000      -1.523000    
 N   -1.331100      0.2502000     -2.8300000E-02
 N   -3.643100     -0.1507000      0.2680000    
 N   -3.841600      0.2492000      -1.154800    
 C   4.7100000E-02  0.3105000      0.4014000    
 C   0.8047000       1.431500     -0.3148000    
 C    2.284900       1.413900      7.9700001E-02
 C    2.882900      9.4999997E-03 -6.4499997E-02
 C   0.7482000      -1.036800      0.2023000    
 C    4.303800     -6.7400001E-02  0.4877000    
 C   -2.356500     -0.1441000      0.8295000    
 C    1.308300      -2.693500      -1.367600    
 C   -4.810200     -0.5393000       1.049600    
 H   5.2600000E-02  0.5405000       1.476000    
 H   0.6945000       1.359000      -1.403400    
 H    2.395900       1.763700       1.113900    
 H    2.925200     -0.2777000      -1.123000    
 H   0.2459000      -1.793400      0.8179000    
 H    4.331500      0.1709000       1.556200    
 H    4.979300      0.6104000     -4.2100001E-02
 H   -1.519600      0.4184000      -1.009900    
 H   0.3314000       2.772700       1.038100    
 H    2.561100       3.206400     -0.6415000    
 H   0.8832000      -3.462600     -0.7149000    
 H    2.388000      -2.622600      -1.211600    
 H    1.138000      -2.994500      -2.405300    
 H    4.166000      -1.982400      0.7995000    
 H   -4.531000     -0.8089000       2.071500    
 H   -5.286000      -1.403800      0.5770000    
 H   -5.511000      0.3000000       1.087800    


%chk=000161650-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161650

0 1
O 2.392626 -1.095961 0.512171
O 0.137827 2.399607 0.972397
O 2.749237 2.564573 -0.067410
O 0.657637 -1.534680 -1.122178
O 5.037835 -1.105881 -0.431900
O -2.316818 1.284312 1.524404
O -4.733389 -1.584848 -1.122265
N -1.259482 -0.361737 0.243149
N -3.621218 -0.151913 0.200926
N -3.584818 -1.231523 -0.694747
C 0.110704 -0.101991 0.732319
C 0.693283 1.254430 0.247890
C 2.209729 1.334121 0.506752
C 2.934129 0.147186 -0.132229
C 0.980470 -1.310693 0.283774
C 4.438397 0.107127 0.133528
C -2.349967 0.307950 0.705926
C 1.304128 -2.729044 -1.694659
C -4.883744 0.499444 0.590143
H 0.102793 -0.081906 1.840016
H 0.506910 1.357267 -0.842007
H 2.367497 1.314237 1.607978
H 2.733739 0.101250 -1.219876
H 0.747547 -2.216725 0.879663
H 4.626638 0.176345 1.225801
H 4.923110 0.956531 -0.369961
H -1.359861 -1.039402 -0.523363
H -0.798103 2.200444 1.279976
H 2.156973 3.301421 0.238290
H 1.044197 -3.634373 -1.110187
H 2.401584 -2.605086 -1.719712
H 0.910660 -2.817335 -2.717974
H 4.566610 -1.877640 -0.023544
H -4.636765 1.309278 1.290178
H -5.552876 -0.236633 1.067337
H -5.392217 0.898247 -0.304406


