%chk=000082579.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082579

0 1
 O   -1.273800     -0.4322000     -0.3659000    
 O  -0.1886000       1.639000     -0.1626000    
 O   -4.965600       1.295700      0.3588000    
 O   -4.621500      -1.558700      0.6448000    
 O   -2.743100       1.817700      -1.243600    
 O  -0.8435000      -3.135300     -0.4677000    
 O    5.443900     -0.7153000       1.294000    
 O    5.636200     -0.5795000     -0.8887000    
 N    4.976200     -0.4225000      0.1670000    
 C   -3.716100      0.6779000      0.6550000    
 C   -3.673400     -0.7078000      5.7999999E-03
 C   -2.566800       1.550500      0.1511000    
 C   -2.273100      -1.321600      0.1434000    
 C   -1.239500      0.8146000      0.3323000    
 C   -2.157200      -2.632200     -0.6284000    
 C    1.080900       1.132300     -8.1799999E-02
 C    1.612900      0.8020000       1.160100    
 C    1.826800      0.9521000      -1.241700    
 C    2.906000      0.2856000       1.243100    
 C    3.119900      0.4355000      -1.158700    
 C    3.659400      0.1023000      8.3700001E-02
 H   -3.656400      0.5854000       1.746500    
 H   -3.967200     -0.6349000      -1.047900    
 H   -2.560900       2.523300      0.6534000    
 H   -2.039900      -1.529100       1.196700    
 H   -1.084400      0.6274000       1.402800    
 H   -2.328100      -2.482000      -1.699500    
 H   -2.862700      -3.382700     -0.2605000    
 H   -5.666800      0.7011000      0.6761000    
 H   -4.373600      -1.634600       1.582100    
 H   -2.559900       1.000900      -1.737600    
 H  -0.2265000      -2.456800     -0.7915000    
 H    1.047700      0.9545000       2.074900    
 H    1.409500       1.209700      -2.211100    
 H    3.295400      4.0800001E-02   2.228100    
 H    3.677300      0.3062000      -2.082900    


%chk=000082579-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082579

0 1
O -1.419411 -0.675713 -0.402238
O -0.164896 1.292836 -0.689915
O -4.902184 1.576480 0.368797
O -4.881415 -1.270959 1.047583
O -2.820639 1.433265 -1.707844
O -1.166195 -3.461257 0.091867
O 5.538552 -0.979794 1.130657
O 6.154181 0.701218 -0.285987
N 5.261672 -0.011853 0.319150
C -3.669802 0.840553 0.573436
C -3.824366 -0.655778 0.222161
C -2.546814 1.489408 -0.279015
C -2.473172 -1.390908 0.379305
C -1.250769 0.723543 0.058094
C -2.459247 -2.825704 -0.156270
C 1.151444 0.893309 -0.391902
C 1.488029 -0.174901 0.479204
C 2.156963 1.651504 -1.041232
C 2.844374 -0.466208 0.714650
C 3.509200 1.356214 -0.812279
C 3.839197 0.300440 0.070132
H -3.360621 0.905955 1.649530
H -4.208834 -0.751156 -0.807928
H -2.459410 2.558587 -0.021783
H -2.166632 -1.396316 1.452158
H -1.028684 0.726389 1.148995
H -2.710653 -2.817278 -1.237651
H -3.205684 -3.432757 0.379012
H -5.656375 0.990472 0.642876
H -4.599937 -1.267140 2.000635
H -2.408269 0.605893 -2.073271
H -0.477197 -2.954603 -0.410462
H 0.712934 -0.789014 0.943919
H 1.854649 2.462526 -1.709172
H 3.144149 -1.281376 1.378469
H 4.309363 1.923422 -1.294078


