%chk=000056441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056441

0 1
 O  -0.1530000      0.7780000     -0.1133000    
 O   -5.368900     -0.3673000      8.5600004E-02
 O    1.437200      -3.933500     -9.6400000E-02
 O    3.581100      -2.386900      -1.121900    
 N   0.5079000      -1.750500     -8.9199997E-02
 N    3.161400      -1.332600      0.9338000    
 C   -1.809600     -0.9140000     -2.6799999E-02
 C   -3.174800      -1.203300      2.4400000E-02
 C   -2.338400       1.576400     -5.2800000E-02
 C   -3.703500       1.287100     -1.3000000E-03
 C   -1.341500      0.4864000     -6.7599997E-02
 C  -0.8749000      -1.956200     -3.9500002E-02
 C   -4.171700     -0.1134000      3.9700001E-02
 C   -3.605300      -2.535100      6.2500000E-02
 C   -1.308300      -3.281900     -1.0000000E-03
 C   -1.907800       2.908100     -9.0700001E-02
 C   -4.638200       2.329400      1.2000000E-02
 C   -2.670500      -3.570700      4.9899999E-02
 C   -2.842600       3.943700     -7.6700002E-02
 C   -4.204800       3.655000     -2.5699999E-02
 C    1.504900      -2.715700     -0.1047000    
 C    4.429500     -0.6659000       1.115300    
 C    4.432500      0.7095000      0.5135000    
 C    2.878100      -2.116800     -0.1612000    
 C    4.825400      0.8807000     -0.8088000    
 C    4.042700       1.798400       1.284400    
 C    4.828600       2.158600      -1.368000    
 C    4.045700       3.076300      0.7253000    
 C    4.438800       3.256400     -0.6009000    
 H   -4.661700      -2.786600      0.1028000    
 H  -0.6686000      -4.151000     -5.1000002E-03
 H  -0.8520000       3.162000     -0.1310000    
 H   -5.705800       2.130600      5.1700000E-02
 H   -3.007200      -4.603100      8.0200002E-02
 H   0.8179000     -0.7835000     -0.1149000    
 H   -2.507800       4.976700     -0.1059000    
 H   -4.930500       4.463100     -1.5200000E-02
 H    5.226400      -1.276900      0.6745000    
 H    4.625400     -0.6168000       2.192500    
 H    2.451200      -1.204000       1.649000    
 H    5.133300      3.4299999E-02  -1.416200    
 H    3.732600       1.669300       2.317700    
 H    5.134900       2.299000      -2.400500    
 H    3.741400       3.931000       1.322300    
 H    4.440900       4.251400      -1.036200    


%chk=000056441-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056441

0 1
O 0.015385 0.454578 -0.602368
O -5.399264 -0.301504 0.150293
O 1.359117 -4.215321 0.309298
O 3.655621 -2.899927 -1.143248
N 0.483581 -2.040363 -0.041858
N 3.215615 -1.268449 0.474234
C -1.773699 -1.086403 -0.046728
C -3.183825 -1.265859 0.143374
C -2.200076 1.371964 -0.615000
C -3.600301 1.195515 -0.422477
C -1.247346 0.243981 -0.427699
C -0.900847 -2.222181 0.139247
C -4.151308 -0.133995 -0.029936
C -3.706694 -2.524993 0.501941
C -1.451299 -3.487486 0.497774
C -1.699392 2.643484 -0.992277
C -4.480688 2.288978 -0.606357
C -2.839009 -3.625795 0.674751
C -2.581356 3.726823 -1.174963
C -3.975298 3.550046 -0.980963
C 1.506857 -2.992277 0.044137
C 4.498619 -0.558619 0.306974
C 4.365792 0.944188 0.522021
C 2.897057 -2.388558 -0.272837
C 3.243604 1.665222 0.037968
C 5.397919 1.648100 1.191550
C 3.162779 3.063888 0.220892
C 5.320699 3.048072 1.366542
C 4.200368 3.761473 0.881901
H -4.788301 -2.616399 0.636937
H -0.775342 -4.335169 0.623962
H -0.620806 2.754237 -1.138116
H -5.551084 2.122183 -0.450727
H -3.246128 -4.604444 0.948838
H 0.721483 -1.062317 -0.331623
H -2.190597 4.706750 -1.468339
H -4.658523 4.393753 -1.123724
H 4.847081 -0.794580 -0.716564
H 5.256896 -0.973795 1.000336
H 2.593638 -0.962468 1.226970
H 2.431128 1.140586 -0.476784
H 6.265861 1.099017 1.577929
H 2.289339 3.609070 -0.155048
H 6.127614 3.578284 1.884606
H 4.135531 4.846413 1.020762


