%chk=000117391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117391

0 1
 O   0.2436000     -8.9999998E-04   2.253000    
 O    2.510400      2.3000001E-03  -1.134200    
 O   -1.386000     -3.4000000E-03   3.897200    
 O    2.981900       4.708300     -0.9678000    
 O    2.990900      -4.702700     -0.9703000    
 O   -5.028000     -2.4999999E-03  -2.205100    
 O   -3.071100     -6.0000003E-04  -3.200000    
 N   -3.774200     -1.8000000E-03  -2.161100    
 C   0.3141000     -9.9999997E-05  0.7918000    
 C   -1.134000     -1.1000000E-03  0.4211000    
 C    1.035300       1.259300      0.3539000    
 C    1.037300      -1.258000      0.3529000    
 C   -1.910600     -2.2000000E-03   1.565700    
 C    2.067800       1.182400     -0.5877000    
 C    2.070000      -1.179000     -0.5883000    
 C   -1.041600     -1.8000000E-03   2.732400    
 C   -1.734100     -8.9999998E-04 -0.8281000    
 C   0.6752000       2.526100      0.8465000    
 C   0.6793000      -2.525800      0.8448000    
 C   -3.292900     -3.1000001E-03   1.531700    
 C   -3.130400     -2.0000001E-03 -0.8948000    
 C    2.716900       2.338400      -1.034200    
 C    2.721600      -2.333600      -1.035000    
 C   -3.904400     -2.7999999E-03  0.2778000    
 C    1.327600       3.678900      0.4062000    
 C    1.334100      -3.677200      0.4043000    
 C    2.347300       3.585000     -0.5358000    
 C    2.354200      -3.581200     -0.5370000    
 H   -1.109800       0.000000      -1.716500    
 H  -0.1240000       2.630000       1.576200    
 H  -0.1198000      -2.631400       1.574200    
 H   -3.886300     -3.8000001E-03   2.438900    
 H    3.514400       2.257900      -1.769300    
 H    3.520000      -2.258400      -1.769600    
 H   -4.991500     -3.5000001E-03  0.2449000    
 H    1.031200       4.647100      0.8005000    
 H    1.034300      -4.643100      0.8021000    
 H    3.659800       4.457200      -1.618500    
 H    2.608400      -5.475900     -0.5209000    


%chk=000117391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117391

0 1
O 0.419159 0.018035 2.225571
O 3.034492 -0.008722 -0.560583
O -1.085088 0.032085 4.018204
O 3.049972 4.818729 -0.927655
O 3.184737 -4.757265 -0.867065
O -5.372740 -0.029620 -1.861381
O -3.435800 -0.046964 -3.065424
N -4.086343 -0.031354 -1.951970
C 0.333618 0.002277 0.645874
C -1.179361 -0.001333 0.435842
C 1.028466 1.252464 0.159929
C 1.031002 -1.257686 0.187049
C -1.861176 0.011334 1.668957
C 2.342192 1.199290 -0.364410
C 2.347712 -1.215927 -0.339642
C -0.873268 0.022589 2.791469
C -1.888770 -0.014685 -0.775193
C 0.432755 2.535711 0.293795
C 0.437373 -2.534752 0.349965
C -3.268613 0.012166 1.747432
C -3.298660 -0.014852 -0.685604
C 3.050324 2.359007 -0.739968
C 3.056852 -2.379536 -0.688094
C -4.002169 -0.001121 0.544496
C 1.107809 3.707312 -0.071394
C 1.116515 -3.715118 0.010412
C 2.427196 3.613810 -0.586477
C 2.437708 -3.630046 -0.507532
H -1.398939 -0.024310 -1.752278
H -0.579003 2.612793 0.705785
H -0.574192 -2.603456 0.763686
H -3.765118 0.023319 2.722332
H 4.063259 2.251961 -1.142600
H 4.068835 -2.311979 -1.092485
H -5.094969 -0.001033 0.530867
H 0.650125 4.693622 0.037253
H 0.634630 -4.689985 0.150878
H 3.967469 4.670400 -1.267049
H 2.678909 -5.591058 -0.701091


