%chk=000156866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156866

0 1
 O    1.150500       2.074200     -0.4867000    
 O    2.526800       2.608700       1.276300    
 O   -1.255500     -0.6032000       2.494400    
 O   -2.446500      0.9432000     -0.7289000    
 O   -4.171100       1.362400      0.7975000    
 N   4.3900002E-02  5.0200000E-02  0.6879000    
 C    1.098700      0.6674000       1.452400    
 C    2.181900     -0.3523000       1.834200    
 C    2.928000     -0.9500000      0.6628000    
 C    1.684300       1.886900      0.7527000    
 C   -1.061000     -0.5421000       1.283200    
 C    4.086800     -0.3362000      0.1872000    
 C    2.457100      -2.115100      5.7200000E-02
 C   -2.046800      -1.157900      0.3579000    
 C    4.774600     -0.8877000     -0.8938000    
 C    3.145100      -2.666500      -1.023700    
 C   -2.697700     -0.3910000     -0.6086000    
 C    4.303800      -2.052800      -1.499200    
 C   -2.319100      -2.521700      0.4658000    
 C    1.634400       3.212900      -1.206000    
 C   -3.620900     -0.9882000      -1.467200    
 C   -3.242300      -3.118600     -0.3929000    
 C   -3.893200      -2.351900      -1.359200    
 C   0.9455000       3.274800      -2.552600    
 C   -3.280700       1.755300      5.5399999E-02
 C   -2.926500       3.198900     -0.1462000    
 H   0.6443000       1.050500       2.375300    
 H    1.735100      -1.166500       2.420700    
 H    2.910400      0.1217000       2.506000    
 H   0.1303000      3.4499999E-02 -0.3245000    
 H    4.468700      0.5689000      0.6513000    
 H    1.556300      -2.604300      0.4184000    
 H    5.677400     -0.4104000      -1.263500    
 H    2.778600      -3.573700      -1.494900    
 H    4.839600      -2.482100      -2.340700    
 H   -1.816900      -3.130600       1.213100    
 H    2.717100       3.121800      -1.347900    
 H    1.416600       4.123600     -0.6368000    
 H   -4.131500     -0.3975000      -2.223000    
 H   -3.453900      -4.180500     -0.3093000    
 H   -4.611800      -2.816800      -2.027800    
 H    1.291600       4.136400      -3.130300    
 H  -0.1400000       3.345700      -2.426500    
 H    1.139500       2.362600      -3.126400    
 H   -1.887100       3.367200      0.1470000    
 H   -3.571500       3.822100      0.4795000    
 H   -3.080600       3.473800      -1.192500    


%chk=000156866-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156866

0 1
O 0.713395 2.413718 0.803483
O 2.606470 2.229993 2.153311
O -0.472586 -1.830965 2.671977
O -1.856197 0.176424 -0.834723
O -2.113913 -0.669298 -3.020823
N -0.125575 -0.039685 1.245809
C 1.169097 0.263966 1.852984
C 2.318574 -0.701535 1.372216
C 2.541107 -0.690584 -0.129793
C 1.584909 1.718826 1.641408
C -0.872967 -1.103493 1.700938
C 3.482159 0.193285 -0.721671
C 1.798184 -1.555338 -0.976900
C -2.201269 -1.376787 1.026810
C 3.670573 0.218471 -2.122500
C 1.982817 -1.533104 -2.378386
C -2.673820 -0.812452 -0.190743
C 2.919168 -0.643212 -2.956562
C -3.046860 -2.307998 1.685904
C 1.036573 3.856157 0.547602
C -3.935065 -1.148352 -0.725867
C -4.306819 -2.657498 1.165163
C -4.752444 -2.073652 -0.043611
C 2.028123 3.999572 -0.609187
C -1.617686 0.166623 -2.248899
C -0.666881 1.285550 -2.595244
H 1.083295 0.102976 2.946017
H 2.029211 -1.708197 1.721488
H 3.234858 -0.400000 1.910629
H -0.472966 0.531733 0.469513
H 4.075963 0.853372 -0.077036
H 1.084243 -2.258490 -0.531965
H 4.409534 0.898593 -2.561671
H 1.405486 -2.212586 -3.015495
H 3.071387 -0.632388 -4.041764
H -2.666026 -2.745509 2.614410
H 1.440411 4.288030 1.479785
H 0.055064 4.300363 0.316868
H -4.265815 -0.700644 -1.665172
H -4.938169 -3.377549 1.695531
H -5.731157 -2.335820 -0.459132
H 2.175148 5.071502 -0.837692
H 1.654377 3.499720 -1.519567
H 3.005751 3.565881 -0.342798
H -0.790844 2.137841 -1.909924
H -0.827091 1.595493 -3.639163
H 0.370577 0.913147 -2.498458


