%chk=000126504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126504

0 1
 O   0.4457000      -2.159000      0.5057000    
 O    2.201800      0.4946000      -2.934500    
 O    4.147300     -0.6398000      -2.675400    
 O   -1.897700       3.511700     -0.2274000    
 O   -4.448600      -2.992800      0.4507000    
 O   -4.066800       3.194300     -4.8599999E-02
 O   -5.818500      -1.272100      0.4194000    
 N    1.128700     -0.3167000     -0.7258000    
 N   -2.892000       2.758200     -9.8999999E-02
 N   -4.663900      -1.759800      0.3726000    
 C    2.504800     -0.7264000     -0.8911000    
 C    3.370100     -0.2240000      0.2404000    
 C   -1.175100     -0.5330000      2.8300000E-02
 C   0.1757000      -1.069100     -2.9200001E-02
 C    4.411000      -1.014100      0.7008000    
 C    3.107100       1.017600      0.7962000    
 C    3.044500     -0.3166000      -2.250400    
 C   -2.261800      -1.395400      0.1727000    
 C   -1.383900      0.8431000     -6.2100001E-02
 C   -2.679600       1.357100     -8.2000000E-03
 C   -3.557600     -0.8815000      0.2268000    
 C   -3.766400      0.4947000      0.1363000    
 C    5.210400     -0.5503000       1.745500    
 C    3.906600       1.481500       1.840900    
 C    4.958300      0.6975000       2.315500    
 H    2.501400      -1.824400     -0.8877000    
 H   0.8519000      0.5381000      -1.197100    
 H    4.616700      -1.986500      0.2627000    
 H    2.305400       1.655100      0.4355000    
 H   -2.082700      -2.466300      0.2361000    
 H  -0.5397000       1.522600     -0.1368000    
 H   -4.776700      0.8953000      0.1785000    
 H    6.029700      -1.160400       2.114700    
 H    3.712900       2.454700       2.282500    
 H    5.581300       1.059200       3.128200    
 H    2.577300      0.7688000      -3.798300    


%chk=000126504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126504

0 1
O 0.556346 -2.130441 0.111845
O 2.542538 1.298757 -2.629752
O 4.112674 -0.386409 -2.980106
O -2.382007 3.482621 -0.846537
O -4.094259 -3.178138 1.128877
O -4.537425 2.990333 -0.280439
O -5.700823 -1.557621 1.077115
N 1.150610 -0.135342 -0.912871
N -3.304286 2.668193 -0.457783
N -4.490607 -1.971604 0.920792
C 2.559479 -0.550630 -1.061288
C 3.415487 -0.212319 0.174158
C -1.174560 -0.454288 -0.146712
C 0.241624 -0.970011 -0.301030
C 3.859549 -1.258288 1.016655
C 3.737737 1.131330 0.492080
C 3.168682 0.073571 -2.316624
C -2.142035 -1.390830 0.290742
C -1.562793 0.883184 -0.390184
C -2.910106 1.253601 -0.198905
C -3.474506 -0.976611 0.464032
C -3.895331 0.345424 0.226117
C 4.621565 -0.964607 2.169510
C 4.499517 1.422552 1.644200
C 4.943825 0.375086 2.484964
H 2.570903 -1.646012 -1.197970
H 0.898787 0.778040 -1.294494
H 3.593104 -2.294160 0.779994
H 3.397890 1.946925 -0.157742
H -1.836307 -2.421591 0.494103
H -0.864536 1.664487 -0.704561
H -4.934798 0.650906 0.368562
H 4.959714 -1.778246 2.820089
H 4.749116 2.461600 1.885805
H 5.535849 0.601977 3.378407
H 2.966984 1.704459 -3.432646


