%chk=000070855.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070855

0 1
 O  -0.7802000     -0.2604000     -0.2585000    
 O    2.329700      -2.422400       1.000900    
 O    3.449700       3.060000       1.107200    
 O    4.439600      -2.145400      0.2220000    
 O   0.6470000      -1.153400      -1.820500    
 O    2.865400       2.432700     -0.9950000    
 N    1.430500     -0.1621000      0.1254000    
 C    2.844000     -0.3477000     -9.9500000E-02
 C    3.659800      0.7530000      0.5842000    
 C    3.303500      -1.714700      0.3800000    
 C   -1.896900     -0.6375000      -1.071900    
 C   -3.164800     -0.2166000     -0.3887000    
 C   0.4526000     -0.5803000     -0.7536000    
 C    3.277200       2.142600      0.1194000    
 C   -3.796600      -1.090500      0.4891000    
 C   -3.696300       1.043700     -0.6392000    
 C   -4.975200     -0.6992000       1.124400    
 C   -4.874800       1.434900     -3.5999999E-03
 C   -5.514200      0.5633000      0.8781000    
 H    3.009100     -0.3251000      -1.183900    
 H    4.731200      0.6202000      0.3961000    
 H    3.504700      0.6952000       1.669500    
 H    1.129400      0.2526000       1.002500    
 H   -1.892000      -1.723800      -1.226300    
 H   -1.817900     -0.1562000      -2.054700    
 H   -3.384300      -2.075500      0.6900000    
 H   -3.205300       1.731200      -1.322400    
 H   -5.472800      -1.377400       1.811500    
 H   -5.294400       2.418200     -0.1948000    
 H   -6.431600      0.8681000       1.373100    
 H    2.648300      -3.300800       1.299500    
 H    3.204700       3.963300      0.8135000    


%chk=000070855-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070855

0 1
O -0.794367 1.309259 -0.524832
O 0.886860 -1.268063 2.170951
O 4.904476 2.246393 -0.484294
O 3.113718 -1.924050 2.146639
O 0.160106 -0.699512 -1.327754
O 3.907538 0.628443 -1.821688
N 1.212464 0.637734 0.291169
C 2.343387 -0.256719 0.490068
C 3.676202 0.511683 0.637495
C 2.187202 -1.225821 1.679122
C -2.004737 1.066420 -1.383904
C -3.078887 0.306644 -0.635804
C 0.191732 0.312719 -0.582893
C 4.134243 1.093991 -0.686102
C -3.070369 -1.112653 -0.612703
C -4.107459 1.002811 0.048228
C -4.072877 -1.819649 0.086916
C -5.111224 0.296422 0.748018
C -5.095627 -1.117778 0.768038
H 2.402281 -0.894257 -0.415859
H 4.452510 -0.194242 0.990129
H 3.607884 1.315371 1.390877
H 1.056948 1.421228 0.926800
H -1.671511 0.523129 -2.284763
H -2.328988 2.085990 -1.645001
H -2.269973 -1.649637 -1.134154
H -4.120334 2.099817 0.032806
H -4.060182 -2.915317 0.097749
H -5.903411 0.843995 1.270866
H -5.875586 -1.667929 1.306765
H 0.827346 -1.950053 2.894231
H 5.229735 2.583631 -1.363316


