%chk=000001828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001828

0 1
 O   -1.415100     -0.5800000     -0.8638000    
 O   -1.366500       2.667200      0.5921000    
 O   -3.424800      0.6867000       1.815300    
 O   -3.368600      -2.601000      -1.119200    
 O    1.433700       2.355000      -1.218700    
 O    2.620400      -2.464200       1.058000    
 O    4.566400     -0.6371000      0.3429000    
 N   0.6744000      0.3282000     -0.3401000    
 N    2.988700      0.8591000     -0.4374000    
 C   -1.369100       1.252400      0.6549000    
 C   -2.777900      0.7114000      0.5578000    
 C  -0.7088000      0.6359000     -0.5683000    
 C   -2.521900     -0.6943000      4.4700000E-02
 C   -3.714400      -1.299800     -0.6731000    
 C    1.028500     -0.8857000      0.2375000    
 C    1.673400       1.260800     -0.7036000    
 C    2.287200      -1.257500      0.4864000    
 C    3.394400     -0.3373000      0.1344000    
 H  -0.8939000      0.9561000       1.597300    
 H   -3.387800       1.299100     -0.1387000    
 H  -0.7966000       1.289400      -1.444400    
 H   -2.212800      -1.365500      0.8565000    
 H   -3.982400     -0.7079000      -1.554400    
 H   -4.580300      -1.372700     -7.8999996E-03
 H   -1.797000       2.939100     -0.2361000    
 H   -3.455700       1.601200       2.144400    
 H   0.2229000      -1.556700      0.5129000    
 H    3.722500       1.514700     -0.6913000    
 H   -4.147500      -2.964000      -1.574300    
 H    3.589800      -2.496700       1.133200    


%chk=000001828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001828

0 1
O -1.498685 -0.603088 -0.970145
O -1.586305 2.870094 -0.064789
O -3.571619 0.972541 1.596871
O -3.352286 -2.884002 -0.339665
O 1.164873 2.537951 -0.151992
O 2.831937 -2.715340 0.193456
O 4.559681 -0.599407 0.708770
N 0.674067 0.243820 -0.320028
N 2.842096 0.957854 0.274082
C -1.479472 1.474066 0.291842
C -2.881572 0.834718 0.323331
C -0.725425 0.607378 -0.767256
C -2.582044 -0.652951 0.072695
C -3.740305 -1.473139 -0.457386
C 1.084561 -1.094779 -0.246177
C 1.530794 1.319052 -0.072958
C 2.376774 -1.407116 0.100523
C 3.354354 -0.351343 0.387259
H -1.002235 1.336766 1.286353
H -3.472523 1.267012 -0.512234
H -0.640355 1.148076 -1.727700
H -2.190306 -1.121037 0.997627
H -3.941523 -1.187920 -1.511052
H -4.631277 -1.247195 0.165850
H -0.644795 3.205732 -0.121637
H -3.742376 1.934724 1.758102
H 0.323541 -1.838979 -0.485480
H 3.483317 1.735119 0.463099
H -4.057354 -3.457528 -0.730436
H 3.795662 -2.675179 0.456075


