%chk=000163770.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163770

0 1
 O    4.433000       3.121600      0.7093000    
 O    4.177900      -3.070700      0.8918000    
 O    2.653500       1.958400       1.511100    
 O    2.259000      -1.934900       1.327700    
 N    3.011100      4.2500000E-02 -0.4285000    
 C   -1.333500      3.9600000E-02  -1.335600    
 C   -2.383600     -0.3584000     -0.2956000    
 C   8.7600000E-02 -0.3903000     -0.9550000    
 C   -3.803400      8.1500001E-02 -0.6686000    
 C    1.127000     -6.2700003E-02  -2.032600    
 C   -4.897300     -0.2688000      0.3450000    
 C    2.533200     -0.5481000      -1.672900    
 C   -6.283200      0.2434000     -5.2400000E-02
 C   -7.316200     -5.5399999E-02   1.035000    
 C    3.526600       1.392500     -0.6632000    
 C    4.045800     -0.7977000      0.1771000    
 C   -8.702500      0.4223000      0.6324000    
 C    3.481800       2.156400      0.6312000    
 C    3.383300      -1.971300      0.8439000    
 H   -1.599200     -0.4090000      -2.300700    
 H   -1.354000       1.127400      -1.475200    
 H   -2.369900      -1.447300     -0.1639000    
 H   -2.116400      8.1299998E-02  0.6730000    
 H   0.3570000      9.9699996E-02 -1.1900000E-02
 H   9.4899997E-02  -1.471000     -0.7668000    
 H   -3.801800       1.168800     -0.8187000    
 H   -4.067300     -0.3629000      -1.636600    
 H   0.8281000     -0.5449000      -2.972000    
 H    1.122300       1.015100      -2.229500    
 H   -4.621600      0.1542000       1.319000    
 H   -4.932900      -1.357700      0.4720000    
 H    2.474500      -1.641700      -1.593900    
 H    3.222900     -0.3460000      -2.503100    
 H   -6.588400     -0.2250000     -0.9958000    
 H   -6.239100       1.325100     -0.2276000    
 H   -7.024200      0.4342000       1.971300    
 H   -7.350900      -1.133700       1.229300    
 H    2.908100       1.964100      -1.363400    
 H    4.549300       1.369900      -1.058800    
 H    4.592400     -0.2733000      0.9700000    
 H    4.772900      -1.141700     -0.5684000    
 H   -9.038100     -7.4500002E-02 -0.2836000    
 H   -9.424900      0.1995000       1.423900    
 H   -8.710000       1.503200      0.4598000    
 H    4.378200       3.621900       1.551400    
 H    3.737400      -3.820800       1.345300    


%chk=000163770-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163770

0 1
O 3.612717 3.427378 0.607704
O 4.775710 -2.941829 1.209322
O 3.605879 1.531879 1.948934
O 2.530703 -2.739700 0.651028
N 3.079489 -0.086982 -0.445241
C -1.354524 0.038959 -1.379617
C -2.415648 -0.244308 -0.292220
C 0.066083 -0.413964 -0.976782
C -3.842781 0.180601 -0.705630
C 1.119343 -0.111457 -2.064498
C -4.906299 -0.098403 0.380596
C 2.531364 -0.633744 -1.718280
C -6.335393 0.310180 -0.042800
C -7.400422 0.032949 1.042953
C 3.419267 1.336810 -0.536945
C 4.152754 -0.901758 0.139545
C -8.825492 0.438068 0.607442
C 3.543035 2.039440 0.810792
C 3.677555 -2.251250 0.664441
H -1.652326 -0.471428 -2.320425
H -1.347216 1.126593 -1.606977
H -2.410918 -1.327683 -0.050932
H -2.130941 0.281414 0.642924
H 0.370423 0.073659 -0.030898
H 0.068513 -1.501931 -0.764182
H -3.846547 1.263482 -0.951788
H -4.125780 -0.350110 -1.639109
H 0.818210 -0.590528 -3.019347
H 1.138355 0.979108 -2.272823
H -4.630784 0.441435 1.310828
H -4.894829 -1.179126 0.634848
H 2.465144 -1.728249 -1.595768
H 3.227067 -0.434048 -2.573887
H -6.611654 -0.231864 -0.971697
H -6.348066 1.390510 -0.299221
H -7.126053 0.577595 1.969579
H -7.384012 -1.045791 1.301096
H 2.629442 1.862557 -1.099384
H 4.371803 1.542020 -1.094202
H 4.579671 -0.372079 1.009364
H 5.000703 -1.103995 -0.563943
H -9.133735 -0.115237 -0.299904
H -9.567966 0.228751 1.399656
H -8.876052 1.518417 0.373341
H 3.721082 3.883071 1.486290
H 4.462524 -3.814611 1.571018


