%chk=000051874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051874

0 1
 O    3.975900     -0.8281000     -8.9999998E-04
 O   -3.976100      0.8214000     -8.9999998E-04
 O    10.55080       1.300300       1.099500    
 O   -10.56220      -1.280400       1.099500    
 O    10.55270       1.300300      -1.095800    
 O   -10.56420      -1.280300      -1.095700    
 O    2.458400      -2.551300     -6.0000003E-04
 O   -2.451500       2.538200     -6.0000003E-04
 N    10.02060       1.003900      1.4000000E-03
 N   -10.03020     -0.9872000      1.4000000E-03
 N    1.785700     -0.3257000     -1.0000000E-03
 N   -1.780500      0.3124000     -8.9999998E-04
 C    6.354500      -1.046300     -5.0000002E-04
 C   -6.343800       1.045300     -6.0000003E-04
 C    5.045700      -1.780200     -5.0000002E-04
 C   -5.038700       1.766900     -5.0000002E-04
 C    6.956000     -0.7109000      -1.208300    
 C   -6.955400      0.7092000      -1.208300    
 C    6.954400     -0.7094000       1.207700    
 C   -6.953800      0.7077000       1.207700    
 C    8.780900      0.3118000      3.9999999E-04
 C   -8.786500     -0.3026000      3.9999999E-04
 C    8.173200     -2.9800000E-02  -1.207800    
 C   -8.176800      3.5300002E-02  -1.207800    
 C    8.171500     -2.8000001E-02   1.208100    
 C   -8.175000      3.3599999E-02   1.208100    
 C    2.712600      -1.350800     -8.9999998E-04
 C   -2.705600       1.337700     -8.9999998E-04
 C   0.4378000     -0.5137000     -8.9999998E-04
 C  -0.4307000      0.5008000     -8.9999998E-04
 H    4.970400      -2.421000      0.8869000    
 H    4.970700      -2.421400     -0.8876000    
 H   -4.962600       2.410600      0.8849000    
 H   -4.962900       2.410900     -0.8858000    
 H    6.490000     -0.9706000      -2.154800    
 H   -6.489100      0.9652000      -2.156000    
 H    6.487100     -0.9678000       2.154000    
 H   -6.486200      0.9627000       2.155100    
 H    8.618900      0.2187000      -2.167600    
 H   -8.623900     -0.2105000      -2.167600    
 H    8.615500      0.2219000       2.168400    
 H   -8.620400     -0.2135000       2.168400    
 H    2.134900      0.6289000     -1.0000000E-03
 H   -2.129500     -0.6422000     -8.9999998E-04
 H   9.6000001E-02  -1.543900     -8.9999998E-04
 H  -8.9299999E-02   1.531100     -8.9999998E-04


%chk=000051874-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051874

0 1
O 4.062829 -0.799387 -0.000478
O -4.062177 0.798708 -0.000480
O 10.719634 1.324141 1.140899
O -10.718148 -1.327563 1.140948
O 10.721165 1.321911 -1.140207
O -10.719737 -1.325345 -1.140124
O 2.479623 -2.557813 -0.000211
O -2.479314 2.557496 -0.000250
N 10.193388 1.025589 0.000283
N -10.191872 -1.028932 0.000334
N 1.851403 -0.285689 -0.000522
N -1.850629 0.285470 -0.000479
C 6.458504 -1.091543 -0.000115
C -6.457822 1.089542 -0.000169
C 5.142557 -1.832326 -0.000233
C -5.141993 1.830853 -0.000323
C 7.083140 -0.739400 -1.223973
C -7.082268 0.737159 -1.224023
C 7.081430 -0.736820 1.223877
C -7.080521 0.734636 1.223855
C 8.899143 0.294691 0.000134
C -8.897905 -0.297572 0.000149
C 8.307248 -0.043579 -1.235997
C -8.306153 0.040882 -1.235999
C 8.305499 -0.040952 1.236147
C -8.304363 0.038311 1.236146
C 2.756444 -1.332218 -0.000306
C -2.755750 1.331864 -0.000266
C 0.457347 -0.504413 -0.000523
C -0.456581 0.504304 -0.000515
H 5.018344 -2.466829 0.895049
H 5.018637 -2.467054 -0.895389
H -5.018496 2.465605 0.894900
H -5.018770 2.465704 -0.895506
H 6.605703 -1.011511 -2.171624
H -6.604967 1.009390 -2.171689
H 6.602663 -1.006936 2.171429
H -6.601863 1.004919 2.171396
H 8.807357 0.236916 -2.166310
H -8.806200 -0.239838 -2.166281
H 8.804302 0.241522 2.166564
H -8.803076 -0.244346 2.166558
H 2.230475 0.663280 -0.000630
H -2.229634 -0.663532 -0.000565
H 0.184388 -1.564049 -0.000488
H -0.183686 1.563953 -0.000493


