%chk=000100929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100929

0 1
 I  -0.5645000      -2.559400       1.175200    
 I   -2.281500       3.138400     -0.1924000    
 I    3.649300       1.701300      1.6600000E-02
 O   -3.043700      8.7300003E-02   1.691100    
 O   -3.990300      -3.077000      -1.306900    
 O    1.035000       3.633300      -1.690500    
 O    2.620800      -2.039500      -1.392700    
 O    1.134300       4.360800      0.4606000    
 N    2.289200      -1.126200      0.7477000    
 N   -3.116300     -0.4453000     -0.5644000    
 N    4.543100      -3.713000     -0.5444000    
 C   -1.071700      0.3885000      0.4587000    
 C    1.275100     -0.1796000      0.5408000    
 C  -6.3100003E-02 -0.5526000      0.6658000    
 C   0.5963000       2.075300      1.3000000E-03
 C  -0.7420000       1.702500      0.1265000    
 C    1.604800       1.134300      0.2085000    
 C   -2.475800     -2.4999999E-03  0.5935000    
 C   -4.505300     -0.8430000     -0.5981000    
 C   -4.668400      -2.324100     -0.3096000    
 C    2.886300      -1.971700     -0.1969000    
 C   0.9429000       3.454000     -0.3479000    
 C    3.945400      -2.841900      0.4574000    
 H   -5.068500     -0.2516000      0.1309000    
 H   -4.872200     -0.6039000      -1.601600    
 H    2.656000      -1.148000       1.696800    
 H   -2.587200     -0.4949000      -1.430400    
 H   -5.724900      -2.609300     -0.3176000    
 H   -4.246200      -2.591100      0.6638000    
 H    3.486200      -3.438300       1.252300    
 H    4.715000      -2.197400      0.8940000    
 H    3.836600      -4.352400     -0.9070000    
 H    5.251600      -4.297700     -0.1027000    
 H   -4.387300      -2.851800      -2.165500    
 H    1.268000       4.557900      -1.921100    


%chk=000100929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100929

0 1
I -0.361517 -2.327116 1.836396
I -2.330403 3.033578 -0.465887
I 3.703234 1.820012 -0.188985
O -3.026200 0.267069 1.934498
O -4.111059 -2.225797 -2.335316
O 0.957417 3.572408 -2.029393
O 2.025512 -2.477035 -0.800486
O 1.119795 4.515080 0.092410
N 2.483535 -0.967772 0.927924
N -3.069379 -0.661696 -0.205289
N 4.381802 -3.845426 -0.377390
C -1.018864 0.411725 0.550706
C 1.407778 -0.076452 0.654313
C 0.054802 -0.450407 0.884304
C 0.615237 2.126220 -0.153828
C -0.721127 1.694773 0.031340
C 1.664738 1.226710 0.146500
C -2.461267 0.004018 0.831143
C -4.451763 -1.148965 -0.124705
C -4.588179 -2.435142 -0.953651
C 2.735103 -2.125806 0.179364
C 0.919412 3.523405 -0.636754
C 3.932537 -2.947274 0.679743
H -4.694062 -1.329123 0.938015
H -5.154748 -0.373489 -0.496892
H 3.203126 -0.662502 1.589006
H -2.569283 -0.842255 -1.082154
H -5.636884 -2.793414 -0.936223
H -3.929053 -3.222555 -0.554637
H 3.582574 -3.470458 1.604172
H 4.738289 -2.250199 0.999450
H 3.684246 -3.976135 -1.116757
H 4.848698 -4.699434 -0.074285
H -4.764654 -1.668076 -2.828994
H 1.157608 4.502932 -2.325858


