%chk=000022439.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022439

0 1
 O    1.387600       2.185300       1.047000    
 O    2.092700       1.601800     -0.9564000    
 N    1.376000       1.467500      4.1099999E-02
 C   0.9669000     -0.8801000      0.6372000    
 C   -1.926300     -0.2457000     -0.5613000    
 C    1.640900      -1.783700     -0.3987000    
 C   0.4469000      0.3818000      3.0300001E-02
 C   -3.118400      0.2952000      0.2274000    
 C  -0.7517000      0.6892000     -0.4815000    
 C    2.185800      -3.051400      0.2415000    
 C   -4.300300     -0.6601000      0.1733000    
 H   0.1470000      -1.427800       1.117500    
 H    1.672700     -0.6518000       1.446800    
 H   -2.204500     -0.3564000      -1.616500    
 H   -1.668700      -1.247500     -0.2017000    
 H   0.9241000      -2.057100      -1.182500    
 H    2.466100      -1.252800     -0.8878000    
 H   -3.425200       1.269300     -0.1726000    
 H   -2.834900      0.4525000       1.275400    
 H  -0.9338000       1.688800     -0.8759000    
 H    2.660900      -3.683800     -0.5150000    
 H    2.933500      -2.815200       1.005300    
 H    1.383600      -3.628900      0.7119000    
 H   -5.142800     -0.2533000      0.7415000    
 H   -4.630600     -0.8171000     -0.8586000    
 H   -4.039100      -1.632500      0.6028000    


%chk=000022439-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022439

0 1
O 2.637838 1.239293 0.362270
O 1.116603 2.595916 -0.651194
N 1.453516 1.474613 -0.104148
C 0.959179 -0.901920 0.634783
C -1.980485 -0.296399 -0.485422
C 1.789240 -1.782122 -0.343670
C 0.443751 0.371282 0.008790
C -3.228000 0.325674 0.207281
C -0.801105 0.638778 -0.479146
C 2.297786 -3.069789 0.336476
C -4.457210 -0.603612 0.129084
H 0.099320 -1.487104 1.009467
H 1.593036 -0.651522 1.504765
H -2.250412 -0.513854 -1.541232
H -1.738317 -1.266844 -0.015408
H 1.165424 -2.037930 -1.222658
H 2.647566 -1.191787 -0.713901
H -3.461191 1.298747 -0.268180
H -2.984491 0.542384 1.265233
H -0.961743 1.639121 -0.906053
H 2.879766 -3.688265 -0.370356
H 2.953587 -2.831389 1.194434
H 1.458849 -3.685710 0.712694
H -5.330443 -0.150578 0.631919
H -4.738838 -0.805026 -0.921518
H -4.254825 -1.575754 0.616188


