%chk=000029419.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029419

0 1
 I    1.418700       3.068400     -0.5672000    
 I   -3.035500      -1.035900     -0.6922000    
 I    2.765400      -2.877200     -0.1442000    
 O   -1.470400       1.737400     -0.7194000    
 O   -3.915700       1.839000       1.801300    
 O  -0.5749000      -3.666400      -1.436000    
 O    3.861900      0.4218000      -1.312300    
 O   -4.231600       1.975800     -0.4471000    
 N  -0.7322000      -3.553400      0.8747000    
 N    3.682200      0.5697000      0.9948000    
 C   -2.000300       2.276000      0.4815000    
 C   -1.663900       3.766300      0.5582000    
 C  -0.5467000      0.7312000     -0.5937000    
 C  -2.6000001E-02  -1.622100     -0.4269000    
 C    1.750400      1.4600000E-02 -0.3774000    
 C   0.8111000       1.037900     -0.5050000    
 C  -0.9652000     -0.5989000     -0.5547000    
 C    1.331800      -1.315400     -0.3383000    
 C   -2.256300       4.589400     -0.5803000    
 C  -0.4692000      -3.016600     -0.3863000    
 C    3.174200      0.3406000     -0.2847000    
 C   -3.489800       2.008900      0.5242000    
 C   -1.154000      -4.920300       1.080900    
 C    5.060200      0.9242000       1.247800    
 C   -2.634300      -5.091200      0.8090000    
 C    5.310100       2.396400      0.9933000    
 H   -1.553100       1.774600       1.352300    
 H   -2.144600       4.144200       1.473300    
 H  -0.6259000       4.005900      0.7278000    
 H   -1.988600       5.643700     -0.4544000    
 H   -1.873800       4.261000      -1.551200    
 H   -3.348500       4.531400     -0.5992000    
 H  -0.6235000      -2.961200       1.693200    
 H    3.056200      0.4984000       1.791900    
 H  -0.5719000      -5.573000      0.4219000    
 H  -0.9241000      -5.181900       2.118300    
 H    5.276800      0.6753000       2.291200    
 H    5.705200      0.3157000      0.6054000    
 H   -3.229100      -4.432800       1.451000    
 H   -2.879200      -4.852200     -0.2309000    
 H   -2.940100      -6.124200       1.000800    
 H    5.119400       2.658700     -5.2299999E-02
 H    4.659700       3.018000       1.617700    
 H    6.349400       2.651100       1.222400    
 H   -4.882500       1.679200       1.846200    


%chk=000029419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029419

0 1
I 1.464345 3.075712 -0.922173
I -2.970082 -1.175058 -0.942256
I 2.872648 -2.859749 0.011750
O -1.450100 1.771212 -0.863659
O -4.760984 2.208588 0.617079
O -0.430809 -3.840599 -1.388038
O 3.948451 0.370491 -1.626674
O -4.071483 2.490732 -1.590013
N -0.725815 -3.584803 0.916578
N 3.900031 0.658893 0.692081
C -2.413659 2.063803 0.232887
C -1.980897 3.331700 1.013609
C -0.533343 0.733253 -0.657069
C 0.035570 -1.664387 -0.379084
C 1.836783 0.030034 -0.457635
C 0.856611 1.038649 -0.628347
C -0.918807 -0.636283 -0.582548
C 1.405636 -1.310920 -0.301441
C -2.028567 4.626936 0.179596
C -0.395522 -3.128308 -0.343568
C 3.322783 0.370692 -0.527171
C -3.791365 2.261566 -0.402716
C -1.178034 -4.965386 1.170166
C 5.324195 1.013830 0.833312
C -2.676591 -5.042205 1.529181
C 5.530327 2.500058 1.191715
H -2.468676 1.203530 0.925362
H -2.645317 3.414411 1.895277
H -0.955121 3.152911 1.388141
H -1.605378 5.469001 0.755497
H -1.446248 4.513256 -0.749987
H -3.064416 4.894489 -0.097166
H -0.690409 -2.926159 1.697475
H 3.307847 0.653405 1.525177
H -0.974619 -5.531138 0.245363
H -0.561015 -5.400892 1.979423
H 5.781568 0.360008 1.600711
H 5.797583 0.782899 -0.135856
H -2.907202 -4.463071 2.442826
H -3.292593 -4.646812 0.703297
H -2.969114 -6.092461 1.710204
H 5.100987 3.147642 0.408031
H 5.052091 2.756983 2.155247
H 6.609268 2.723480 1.277296
H -5.658760 2.382167 0.223519


