%chk=000050977.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050977

0 1
 O    2.343400      0.4111000      0.2588000    
 O   -4.221000     -1.1600000E-02 -0.2486000    
 O   -2.763300       1.663100      0.3784000    
 O   0.8824000      -3.020300      0.3561000    
 O    4.173500      0.7415000      -1.110900    
 N   0.4634000      -1.051500     -0.2761000    
 N   0.5606000      -1.888100      0.7359000    
 C  -0.5261000      1.8000000E-03 -3.3700000E-02
 C   -1.936500     -0.5320000     -0.2659000    
 C    1.742600     -0.4615000     -0.7212000    
 C   -2.988100      0.5214000      1.2000001E-03
 C    3.556000      0.9376000     -7.3100001E-02
 C    4.041000       1.816800       1.039400    
 C   -5.327900      0.8716000     -4.0300000E-02
 H  -0.3796000      0.8339000     -0.7369000    
 H  -0.4249000      0.4374000      0.9708000    
 H   -2.145700      -1.376400      0.4013000    
 H   -2.043200     -0.8645000      -1.305400    
 H    1.579500      0.1077000      -1.645800    
 H    2.453900      -1.262600     -0.9650000    
 H    3.339300       2.640200       1.194000    
 H    4.153700       1.229400       1.954000    
 H    5.015600       2.235200      0.7722000    
 H   -6.246400      0.3264000     -0.2733000    
 H   -5.253500       1.735700     -0.7073000    
 H   -5.365200       1.191800       1.005300    


%chk=000050977-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050977

0 1
O 2.600569 -0.127418 0.122726
O -3.492875 0.679835 -0.969247
O -2.770817 1.196192 1.185447
O 1.644032 -3.326659 1.366559
O 1.352299 1.473753 -1.036729
N 0.609275 -1.425365 0.676109
N 0.658331 -2.536347 1.549864
C -0.493106 -0.483768 0.949396
C -1.419604 -0.286601 -0.267185
C 1.636123 -1.184684 -0.319990
C -2.598105 0.601025 0.097040
C 2.345128 1.180761 -0.332561
C 3.432002 2.118449 0.134496
C -4.682674 1.540264 -0.749213
H -0.088118 0.493173 1.267807
H -1.049575 -0.904674 1.802902
H -1.802498 -1.252806 -0.642642
H -0.875371 0.201495 -1.097506
H 1.189084 -0.872355 -1.277168
H 2.244987 -2.097333 -0.406148
H 3.644458 1.960391 1.204454
H 4.364902 1.910974 -0.419792
H 3.128379 3.159317 -0.046957
H -5.258156 1.464467 -1.681966
H -4.369374 2.580014 -0.557113
H -5.265798 1.171997 0.111316


