%chk=000051804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051804

0 1
 O   -1.411500      0.9802000     -0.1419000    
 O   -3.363000       2.079600      0.3596000    
 O    1.304300      -2.462400      0.5819000    
 N   0.2733000     -0.7379000     -6.0500000E-02
 N   0.5075000      -2.023200     -0.2560000    
 C   -1.066600     -0.3690000     -0.4904000    
 C   -2.138500      -1.207000      0.1737000    
 C   -3.356700     -0.3233000      4.1600000E-02
 C    1.252500      0.1551000     -0.6686000    
 C    2.480600      0.2872000      0.2306000    
 C   -2.753200       1.048400      0.1233000    
 C    3.530300       1.203600     -0.3990000    
 C    4.741000       1.368500      0.5058000    
 H   -1.156800     -0.4467000      -1.585000    
 H   -1.924900      -1.351900       1.241500    
 H   -2.281900      -2.191300     -0.2825000    
 H   -4.065400     -0.4917000      0.8554000    
 H   -3.844500     -0.4427000     -0.9299000    
 H   0.8548000       1.169700     -0.8000000    
 H    1.540000     -0.1845000      -1.673900    
 H    2.950700     -0.6862000      0.4076000    
 H    2.183100      0.6866000       1.208600    
 H    3.094800       2.190200     -0.5959000    
 H    3.853600      0.7932000      -1.362700    
 H    5.477800       2.027800      3.6400001E-02
 H    4.455700       1.807900       1.467000    
 H    5.221900      0.4041000      0.6977000    


%chk=000051804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051804

0 1
O -1.013385 0.758685 0.519029
O -2.621134 1.720110 1.896343
O 1.427012 -2.792501 0.274404
N 0.269125 -1.025919 -0.500128
N 0.271489 -2.251092 0.179021
C -0.990392 -0.314561 -0.557270
C -2.270558 -1.149279 -0.311685
C -3.240502 -0.127553 0.317695
C 1.523018 -0.406310 -0.995089
C 2.270114 0.419221 0.080938
C -2.335126 0.883982 1.029544
C 3.566725 1.035828 -0.490935
C 4.330339 1.868385 0.561284
H -1.029812 0.239278 -1.513544
H -2.048022 -1.963786 0.392668
H -2.640926 -1.590951 -1.250269
H -3.951944 -0.566692 1.033627
H -3.828990 0.418559 -0.444167
H 1.259138 0.232754 -1.858103
H 2.171764 -1.229894 -1.346638
H 2.517271 -0.241195 0.933373
H 1.604220 1.214162 0.464052
H 3.319328 1.678409 -1.361242
H 4.223542 0.227628 -0.872006
H 5.253072 2.304286 0.136810
H 3.705321 2.698670 0.939259
H 4.618213 1.244074 1.427432


