%chk=000053208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053208

0 1
 O    1.180700      0.3847000     -0.2234000    
 O   -4.999500      0.6080000      0.4669000    
 O   -4.188200      -2.018700      0.1267000    
 O   -3.155700       2.657600      0.2007000    
 O   0.6893000      -1.525200      -1.410800    
 N    5.357500      0.3964000      0.4506000    
 N    7.432000     -0.7667000      0.1137000    
 N    7.377200       1.509500      0.2188000    
 C    3.156500     -0.6449000      0.6560000    
 C    2.568600      0.1990000     -0.4683000    
 C   -1.067000     -0.2461000     -0.4290000    
 C    4.650900     -0.8848000      0.4935000    
 C   -3.699100      0.3252000      0.1703000    
 C   -3.294000     -0.9986000      3.9999999E-04
 C   -2.773600       1.360200      3.7099998E-02
 C   -1.963400      -1.287500     -0.3025000    
 C   -1.442900       1.071400     -0.2660000    
 C   0.3487000     -0.5538000     -0.7536000    
 C   -5.523400      5.4400001E-02   1.671700    
 C    6.640800      0.3495000      0.2710000    
 C   -3.692400      -3.342500     -6.2500000E-02
 C   -3.603100       3.352900     -0.9614000    
 H    2.960700     -0.1467000       1.614200    
 H    2.637400      -1.609400      0.7101000    
 H    3.022300       1.195400     -0.4834000    
 H    2.752400     -0.2497000      -1.451900    
 H    5.003900      -1.485800       1.340000    
 H    4.821100      -1.450400     -0.4307000    
 H   -1.590000      -2.295700     -0.4407000    
 H  -0.7392000       1.891400     -0.3784000    
 H   -4.744600     -0.1107000       2.424500    
 H   -6.050100     -0.8798000       1.457200    
 H   -6.248000      0.7645000       2.081300    
 H   -2.946600      -3.606500      0.6951000    
 H   -3.323900      -3.494100      -1.082800    
 H   -4.537800      -4.025000      7.3899999E-02
 H   -2.803100       3.409000      -1.706300    
 H   -3.879300       4.369200     -0.6674000    
 H   -4.482300       2.861500      -1.390200    
 H    7.051800      -1.706200      0.1294000    
 H    8.433700     -0.6820000     -2.1800000E-02
 H    8.381400       1.494400      7.8199998E-02
 H    6.933700       2.416100      0.3184000    


%chk=000053208-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053208

0 1
O 1.328417 0.154336 -0.460918
O -4.998911 0.825996 0.327925
O -4.446863 -1.889018 -0.119164
O -2.871379 2.705136 0.382788
O 0.738304 -2.099418 -0.630060
N 5.572636 0.368358 0.007873
N 7.784603 -0.524554 0.477646
N 7.500094 1.685943 -0.260527
C 3.404014 -0.572321 0.714870
C 2.765477 -0.215350 -0.632922
C -0.988554 -0.417288 -0.264940
C 4.915441 -0.840490 0.547680
C -3.684420 0.374134 0.139775
C -3.357932 -1.000040 -0.093240
C -2.639215 1.343423 0.119980
C -2.018722 -1.391418 -0.281703
C -1.299074 0.947387 -0.077232
C 0.409885 -0.893691 -0.465199
C -5.771541 0.216244 1.434718
C 6.879795 0.471338 0.073168
C -4.154107 -3.297524 -0.407236
C -3.829884 3.405028 -0.500553
H 3.264972 0.269091 1.417849
H 2.911526 -1.468421 1.136778
H 3.238106 0.682274 -1.056823
H 2.829228 -1.062402 -1.340262
H 5.330109 -1.147561 1.538080
H 5.046756 -1.710124 -0.139433
H -1.733726 -2.433216 -0.451497
H -0.512392 1.704217 -0.068403
H -5.246538 0.375492 2.395160
H -5.925929 -0.859421 1.253165
H -6.732233 0.753182 1.437188
H -3.506287 -3.741892 0.372474
H -3.672420 -3.408800 -1.397093
H -5.133610 -3.797903 -0.409810
H -3.463549 3.391624 -1.545525
H -3.855834 4.440349 -0.127704
H -4.828900 2.943127 -0.441258
H 7.445875 -1.468199 0.640397
H 8.698249 -0.272207 0.847700
H 8.404586 1.673165 -0.730002
H 6.857346 2.440912 -0.495110


