%chk=000055809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055809

0 1
 O   -2.991400       2.412400       1.276900    
 O    3.404700      -2.028600     -0.9736000    
 O    5.045000     -0.6945000      0.8310000    
 O   -2.559600      -2.447300       2.016200    
 N  -0.7671000       1.566400     -0.3503000    
 C   -3.181400       1.935700     -5.4499999E-02
 C   -1.938600       2.225100     -0.9052000    
 C   0.4113000       1.821500      -1.180600    
 C   -3.474600      0.4529000      1.1500000E-02
 C    1.634900       1.153500     -0.6508000    
 C    1.956500     -0.1403000      -1.060800    
 C   -2.873000     -0.3125000      0.9954000    
 C   -4.337400     -0.1067000     -0.9151000    
 C    2.458100       1.823000      0.2548000    
 C    3.101200     -0.7648000     -0.5655000    
 C    3.924200     -9.5500000E-02  0.3401000    
 C    3.602600       1.198300      0.7503000    
 C   -3.142600      -1.679800       1.055000    
 C   -4.606800      -1.474100     -0.8556000    
 C   -4.009500      -2.260600      0.1295000    
 C    2.511600      -2.642300      -1.901000    
 C    5.831700      5.8200002E-02   1.752200    
 H   -4.040900       2.476800     -0.4678000    
 H   -1.772200       3.309300     -0.9233000    
 H   -2.115000       1.888300      -1.934200    
 H   0.5947000       2.901700      -1.256300    
 H   0.2300000       1.474900      -2.206600    
 H  -0.6015000       1.911000      0.5955000    
 H    1.278200     -0.6121000      -1.763900    
 H   -2.192100      0.1176000       1.724500    
 H   -4.805100      0.4976000      -1.686800    
 H    2.216800       2.830700      0.5830000    
 H   -3.814600       2.253500       1.770400    
 H    4.194200       1.778100       1.450400    
 H   -5.281300      -1.926500      -1.576700    
 H   -4.227700      -3.324600      0.1648000    
 H   -2.857300      -3.367000       1.908400    
 H    2.483200      -2.101300      -2.853000    
 H    1.514500      -2.781800      -1.469500    
 H    2.906500      -3.640800      -2.115500    
 H    5.276700      0.2798000       2.670100    
 H    6.245600      0.9595000       1.287300    
 H    6.681500     -0.5701000       2.038700    


%chk=000055809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055809

0 1
O -2.956658 1.927048 1.582620
O 2.810840 -1.978165 0.290392
O 5.112790 -0.710162 0.646573
O -1.903886 -3.040333 0.428564
N -0.771596 1.831538 -0.131157
C -3.243805 1.723904 0.143616
C -2.051722 2.383250 -0.588473
C 0.423736 2.303083 -0.859094
C -3.475076 0.256446 -0.197510
C 1.677217 1.547655 -0.432792
C 1.626130 0.138660 -0.260578
C -2.596807 -0.746155 0.276576
C -4.587606 -0.108440 -0.999997
C 2.900642 2.215683 -0.233692
C 2.775952 -0.592354 0.098271
C 4.020329 0.094105 0.291534
C 4.067488 1.493886 0.122995
C -2.828632 -2.095414 -0.064941
C -4.809606 -1.462233 -1.334520
C -3.932638 -2.467293 -0.869835
C 1.554357 -2.708106 0.092754
C 6.392592 -0.034205 0.856436
H -4.158387 2.292381 -0.133670
H -2.137934 3.487592 -0.430606
H -2.160623 2.197954 -1.675071
H 0.606181 3.400898 -0.744442
H 0.233736 2.133237 -1.940326
H -0.677779 1.919801 0.889133
H 0.661857 -0.358038 -0.401123
H -1.730520 -0.478349 0.884977
H -5.278210 0.664286 -1.358410
H 2.955246 3.304305 -0.352550
H -3.597706 1.393255 2.115688
H 5.006412 2.034902 0.274476
H -5.670015 -1.741585 -1.952308
H -4.108924 -3.520015 -1.127454
H -2.158282 -3.956116 0.153557
H 1.182298 -2.595739 -0.944408
H 0.767301 -2.376235 0.795004
H 1.806992 -3.761128 0.287270
H 6.333552 0.698414 1.685879
H 6.736796 0.478540 -0.063790
H 7.097969 -0.836156 1.119833


