%chk=000031688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031688

0 1
 I  -6.3900001E-02  -1.851200     -0.6275000    
 I   -5.086400       1.393500      0.7207000    
 I   2.5100000E-02   4.229400     -0.4666000    
 O   0.9778000       1.161600     -0.7929000    
 O    3.081700       2.799000       1.537100    
 O   -4.402700      -2.884800     -0.8431000    
 O    3.071300       3.001100     -0.7199000    
 N   -3.134100      -1.166900      0.1595000    
 C   -2.413400      2.6900001E-02  1.4900000E-02
 C    1.904400       1.112600      0.2894000    
 C    2.735100     -0.1222000      0.1944000    
 C   -3.097700      -1.856900       1.482600    
 C  -0.3504000       1.185400     -0.4632000    
 C   -1.060300     -5.5999998E-03 -0.3225000    
 C   -3.054000       1.250300      0.2111000    
 C  -0.9888000       2.408700     -0.2676000    
 C    2.683000      -1.077500       1.209500    
 C    3.564600     -0.3216000     -0.9091000    
 C   -2.341800       2.441200      6.9799997E-02
 C   -3.826700      -1.797100     -0.9267000    
 C   -4.278800      -1.449200       2.347100    
 C    4.289800      -2.431900      1.7400000E-02
 C    3.460300      -2.232400       1.120900    
 C    4.341800      -1.476500     -0.9976000    
 C    2.729200       2.396600      0.2881000    
 C   -3.886100      -1.066300      -2.248600    
 C    5.121100      -3.666300     -7.7100001E-02
 H    1.351000       1.113700       1.240900    
 H   -3.132400      -2.937800       1.307300    
 H   -2.156800      -1.630600       1.996100    
 H    2.049200     -0.9337000       2.080800    
 H    3.612900      0.4087000      -1.712100    
 H   -2.840400       3.396200      0.2224000    
 H   -4.138100     -0.4557000       2.776500    
 H   -5.229100      -1.516300       1.810900    
 H   -4.345200      -2.133100       3.201400    
 H    3.410900      -2.969300       1.918000    
 H    4.981600      -1.622100      -1.863900    
 H   -2.884200     -0.7995000      -2.591800    
 H   -4.500300     -0.1684000      -2.160000    
 H   -4.336200      -1.717600      -3.004300    
 H    6.046900      -3.478100     -0.6314000    
 H    5.410300      -4.024800      0.9166000    
 H    4.561900      -4.457400     -0.5865000    
 H    3.622300       3.617300       1.518300    


%chk=000031688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031688

0 1
I -0.286758 -1.206130 -1.999362
I -4.674476 0.818448 1.893070
I 0.032439 4.392451 0.553436
O 0.928531 1.620909 -1.076368
O 3.891700 3.302782 -0.177682
O -4.536183 -2.572381 -1.205497
O 3.412300 2.359638 -2.249424
N -2.957939 -1.257614 -0.127994
C -2.277527 -0.008653 0.046425
C 2.176384 1.635722 -0.214509
C 2.675645 0.238592 0.102900
C -2.457148 -2.462205 0.604680
C -0.281762 1.428704 -0.395586
C -1.021712 0.228571 -0.595326
C -2.796006 1.029344 0.872567
C -0.872104 2.452505 0.397043
C 2.479015 -0.290222 1.400862
C 3.323315 -0.559453 -0.875852
C -2.114061 2.253877 1.032116
C -3.991661 -1.437885 -1.069871
C -3.305079 -2.833476 1.835778
C 3.563149 -2.401312 0.746198
C 2.915041 -1.596158 1.716126
C 3.760122 -1.857358 -0.552662
C 3.186852 2.443005 -1.027990
C -4.383816 -0.229862 -1.911032
C 4.034620 -3.806064 1.075487
H 1.961080 2.183493 0.718768
H -2.464589 -3.300202 -0.114286
H -1.409681 -2.262797 0.893401
H 1.987465 0.319586 2.169407
H 3.467829 -0.163073 -1.886689
H -2.551549 3.050180 1.637274
H -3.295483 -2.033588 2.595397
H -4.348339 -3.025326 1.535847
H -2.901337 -3.755811 2.293813
H 2.755177 -1.991968 2.725922
H 4.259887 -2.464530 -1.317390
H -3.511287 0.198663 -2.435864
H -4.833606 0.565845 -1.290677
H -5.125152 -0.561964 -2.652379
H 5.117025 -3.921669 0.880533
H 3.852219 -4.059082 2.133722
H 3.511972 -4.557562 0.454055
H 4.589887 3.785429 -0.699087


