%chk=000007050.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007050

0 1
 O   -1.773000      -1.515700      0.2549000    
 O   -3.959700      -2.172500      0.3808000    
 N    2.847200     -0.1906000     -2.7999999E-03
 C    1.479800      0.1495000     -4.1499998E-02
 C    3.863100      0.8296000     -0.1733000    
 C    3.256800      -1.563100      0.2220000    
 C   -1.253200      0.8414000     -0.1206000    
 C  -0.8380000     -0.4756000      8.1299998E-02
 C   0.5105000     -0.8343000      0.1231000    
 C    1.094600       1.473500     -0.2447000    
 C  -0.2614000       1.817800     -0.2842000    
 C   -2.693800       1.128500     -0.1499000    
 C    4.237800       1.459100       1.157600    
 C    3.359700      -2.326700      -1.087300    
 C   -3.560200      0.1194000      1.7800000E-02
 C   -3.172400       2.534500     -0.3654000    
 C   -3.137800      -1.274900      0.2321000    
 H    4.770600      0.3610000     -0.5781000    
 H    3.608600       1.583700     -0.9252000    
 H    4.256000      -1.565300      0.6786000    
 H    2.639100      -2.091500      0.9557000    
 H   0.7382000      -1.883900      0.2687000    
 H    1.796400       2.291600     -0.3626000    
 H  -0.5184000       2.862300     -0.4411000    
 H    3.387200       1.974700       1.614100    
 H    4.588600      0.7034000       1.868400    
 H    5.040600       2.189900       1.017800    
 H    2.391500      -2.394900      -1.592900    
 H    4.059800      -1.840200      -1.774800    
 H    3.717900      -3.344700     -0.9045000    
 H   -4.631700      0.2952000      1.8000000E-03
 H   -2.828000       2.919000      -1.331400    
 H   -2.809900       3.195000      0.4296000    
 H   -4.266300       2.598500     -0.3642000    


%chk=000007050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000007050

0 1
O -1.782843 -1.537194 0.130046
O -3.961018 -2.297379 0.190303
N 2.859221 -0.189145 0.009923
C 1.507339 0.149006 -0.030770
C 3.922604 0.816806 -0.196363
C 3.300595 -1.579516 0.254394
C -1.299142 0.869896 -0.110501
C -0.864194 -0.484809 0.030446
C 0.489913 -0.847986 0.065820
C 1.083064 1.520371 -0.169615
C -0.272982 1.854092 -0.209756
C -2.723705 1.148690 -0.144445
C 4.329431 1.561902 1.096705
C 3.363065 -2.442813 -1.027109
C -3.623257 0.097643 -0.043134
C -3.218752 2.571860 -0.292000
C -3.225204 -1.293801 0.096406
H 4.803402 0.290691 -0.609337
H 3.606733 1.537129 -0.973014
H 4.303507 -1.535702 0.718756
H 2.636002 -2.049297 1.002385
H 0.719020 -1.911690 0.153349
H 1.822642 2.322233 -0.230617
H -0.552634 2.908019 -0.313099
H 3.474999 2.113234 1.526095
H 4.690834 0.851227 1.861565
H 5.140636 2.283973 0.888440
H 2.372261 -2.517541 -1.507015
H 4.064420 -2.007146 -1.761565
H 3.708940 -3.464939 -0.786380
H -4.702336 0.271917 -0.065784
H -2.862425 3.021661 -1.237937
H -2.849976 3.211060 0.532176
H -4.319959 2.611248 -0.288571


