%chk=000003731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003731

0 1
 I    3.422900      -1.311200      0.7600000    
 I   -2.300000      -3.418800      0.5138000    
 I   -1.275800       2.580600       1.005600    
 O   -4.483300       2.446800      -1.627300    
 O    4.785600       1.861700      -1.545500    
 O   -3.497600     -0.2128000       1.824400    
 O    2.156700       1.868500       2.066600    
 O   -6.873900       3.476400     -0.6449000    
 O    6.917300       3.288700     -0.4684000    
 O    1.617800      -5.059300     -0.8777000    
 O    1.358300      -3.800200      -3.106200    
 N   0.9203000      -3.331000      0.5631000    
 N   -3.471000     -6.3999998E-03 -0.4858000    
 N    2.207900       2.039500     -0.2452000    
 C   0.4331000      -2.019500      0.6606000    
 C   -1.426300     -0.4800000      0.7581000    
 C   0.8391000      0.3543000      0.8544000    
 C    1.323500     -0.9501000      0.7571000    
 C  -0.9418000      -1.784300      0.6612000    
 C  -0.5359000      0.5894000      0.8548000    
 C   -4.872600      0.2740000     -0.6486000    
 C    3.147300       3.135900     -0.3114000    
 C   -5.190700       1.766900     -0.5897000    
 C    4.600200       2.669900     -0.3827000    
 C   -2.890700     -0.2299000      0.7567000    
 C    1.773700       1.476400      0.9554000    
 C   -6.678200       2.068800     -0.7400000    
 C    5.597500       3.823000     -0.4310000    
 C    1.166000      -4.139500       1.792400    
 C    1.188900      -3.912600     -0.7188000    
 C   0.9819000      -3.065200      -1.961100    
 H   -5.438000     -0.2658000      0.1189000    
 H   -5.151100     -0.1309000      -1.627900    
 H    2.888300       3.701600      -1.213300    
 H    2.997600       3.785700      0.5576000    
 H   -4.836500       2.193900      0.3561000    
 H    4.837000       2.032100      0.4771000    
 H   -2.886600     -2.8999999E-02  -1.316800    
 H    1.859900       1.658400      -1.120600    
 H   -7.261600       1.578400      4.5200001E-02
 H   -7.043700       1.748200      -1.721100    
 H    5.502200       4.464100      0.4507000    
 H    5.456200       4.422700      -1.336000    
 H    2.219200      -4.434100       1.808500    
 H   0.9174000      -3.562900       2.687400    
 H   0.5548000      -5.044800       1.739400    
 H  -7.2400004E-02  -2.794800      -2.055700    
 H    1.596800      -2.164400      -1.916600    
 H   -3.537300       2.254900      -1.508200    
 H    4.152500       1.125500      -1.491700    
 H   -7.827600       3.638100     -0.7448000    
 H    7.528900       4.043900     -0.4994000    
 H    1.195200      -3.233200      -3.879100    


%chk=000003731-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003731

0 1
I 3.459413 -1.706845 0.936741
I -2.425084 -3.380783 0.370259
I -1.010971 2.473402 1.724531
O -4.391432 1.440584 -2.245389
O 3.653885 2.854777 -1.761191
O -3.468399 -0.289572 2.277404
O 2.451611 1.357032 2.779039
O -6.464078 3.213057 -2.240400
O 6.220401 3.750430 -1.886498
O 1.486427 -5.266555 -0.965330
O 1.255381 -3.748436 -3.193040
N 0.822404 -3.563344 0.482353
N -3.475957 0.182847 -0.007805
N 2.480279 1.929348 0.516044
C 0.415798 -2.209112 0.710203
C -1.387441 -0.528102 1.031176
C 0.986860 0.149564 1.247297
C 1.371934 -1.184956 0.967963
C -0.962146 -1.849402 0.748139
C -0.396564 0.455919 1.275497
C -4.897683 0.534743 -0.084224
C 3.515227 2.962647 0.630745
C -5.064267 1.770858 -0.975668
C 4.489230 2.832052 -0.546443
C -2.870407 -0.201614 1.163270
C 2.035118 1.201172 1.592338
C -6.529971 2.123342 -1.247156
C 5.515128 3.968326 -0.608338
C 0.951575 -4.441888 1.667420
C 1.115430 -4.078724 -0.799975
C 0.936428 -3.068586 -1.947111
H -5.258250 0.719112 0.942454
H -5.472608 -0.311225 -0.512535
H 3.051075 3.969422 0.615553
H 4.024836 2.825903 1.600170
H -4.560835 2.644102 -0.510121
H 5.026340 1.862310 -0.488666
H -2.950080 0.244993 -0.884379
H 2.113151 1.763405 -0.425487
H -7.028112 2.458058 -0.314599
H -7.062695 1.243095 -1.663007
H 6.212369 3.909643 0.251994
H 4.997961 4.950271 -0.607114
H 1.693233 -4.031382 2.375525
H -0.023091 -4.553902 2.175051
H 1.292654 -5.425429 1.307499
H -0.113368 -2.700803 -1.933713
H 1.610954 -2.203724 -1.762977
H -4.646469 2.145495 -2.896972
H 4.271886 2.965404 -2.530963
H -7.371010 3.457603 -2.546976
H 6.868446 4.477227 -2.053964
H 1.156885 -3.104161 -3.939022


