%chk=000068756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068756

0 1
 O    5.955000       1.439100     -0.1784000    
 O   -5.944800      0.9591000      0.3087000    
 O   -3.987700       1.951900     -0.2566000    
 N    4.601900       1.766200     -7.9899997E-02
 C    1.789200     -0.3390000     -0.3891000    
 C    2.423100      -1.718500     -0.1152000    
 C    2.457500      0.7529000      0.4596000    
 C    3.933300      -1.695900     -0.3696000    
 C    4.632500     -0.6280000      0.4634000    
 C   0.2849000     -0.3584000     -0.1924000    
 C    3.949700      0.6997000      0.2472000    
 C  -0.5592000     -9.7599998E-02  -1.269500    
 C  -0.2473000     -0.6360000       1.065000    
 C   -2.477800     -0.3923000      0.1690000    
 C   -1.942200     -0.1145000      -1.088600    
 C   -1.630300     -0.6530000       1.245900    
 C   -3.956400     -0.4106000      0.3630000    
 C   -4.679600      -1.479500     -0.4814000    
 C   -4.601800      0.9544000      9.8800004E-02
 H    1.994500     -0.1014000      -1.443300    
 H    1.961200      -2.477100     -0.7594000    
 H    2.241700      -2.033100      0.9202000    
 H    2.273100      0.6102000       1.530600    
 H    2.077900       1.744400      0.1865000    
 H    4.116700      -1.509200      -1.435100    
 H    4.356600      -2.679700     -0.1373000    
 H    5.697300     -0.6522000      0.2268000    
 H    4.539200     -0.8703000       1.529200    
 H  -0.1573000      0.1203000      -2.255200    
 H   0.3943000     -0.8424000       1.916900    
 H   -2.585400      9.0300001E-02  -1.940200    
 H   -2.030600     -0.8714000       2.232400    
 H   -4.168200     -0.6292000       1.418900    
 H   -4.643600      -1.241200      -1.550300    
 H   -4.220500      -2.463800     -0.3377000    
 H   -5.735000      -1.559100     -0.1995000    
 H    6.345700       2.294600     -0.4244000    
 H   -6.337900       1.841500      0.1379000    


%chk=000068756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068756

0 1
O 6.015639 1.689602 -0.106824
O -4.941632 1.663304 1.022974
O -5.000761 1.224661 -1.255114
N 4.546658 1.838061 0.025537
C 1.785474 -0.357922 -0.403820
C 2.428130 -1.749493 -0.136663
C 2.469867 0.724828 0.492275
C 3.955880 -1.724792 -0.370311
C 4.659965 -0.649878 0.504868
C 0.270815 -0.371905 -0.213050
C 3.978455 0.692148 0.331746
C -0.599901 -0.086614 -1.295447
C -0.311923 -0.674270 1.045102
C -2.575962 -0.419673 0.122204
C -2.001997 -0.109670 -1.136064
C -1.713070 -0.695349 1.210748
C -4.101361 -0.489781 0.304022
C -4.731537 -1.637103 -0.526177
C -4.720803 0.847321 -0.095660
H 1.996794 -0.090518 -1.459788
H 1.953260 -2.506384 -0.789525
H 2.217989 -2.054837 0.909155
H 2.216759 0.519255 1.553018
H 2.086361 1.730961 0.249795
H 4.161573 -1.510340 -1.437845
H 4.391400 -2.718100 -0.151347
H 5.730489 -0.570145 0.256674
H 4.582883 -0.947759 1.571447
H -0.171837 0.158818 -2.275359
H 0.330143 -0.895455 1.906599
H -2.652752 0.126368 -1.986239
H -2.141363 -0.926240 2.193835
H -4.316190 -0.641311 1.375766
H -4.584104 -1.462816 -1.605257
H -4.259483 -2.597494 -0.256910
H -5.817701 -1.713064 -0.338318
H 6.284723 2.614411 -0.340912
H -5.301176 2.542376 0.721766


