%chk=000116138.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116138

0 1
 I   0.6078000       4.351900      1.1000000E-02
 O  -0.4569000      -1.790300     -1.3700000E-02
 O    2.116600      -2.007100      0.4910000    
 O    5.909800      0.3398000      0.4637000    
 N    3.380100     -0.4338000     -0.6513000    
 C   -1.302200      0.4506000      7.9999998E-04
 C    1.080000      3.5700001E-02 -9.8000001E-03
 C  -0.2299000     -0.4436000     -7.1999999E-03
 C   -2.668700     -2.4599999E-02  7.1000000E-03
 C   -1.059700       1.825400      6.2000002E-03
 C    1.320200       1.409700     -4.4000000E-03
 C    2.213100     -0.8795000     -2.2100000E-02
 C   0.2503000       2.304600      3.5000001E-03
 C    4.578800      -1.233000     -0.7663000    
 C   -3.335400     -0.2477000      -1.197600    
 C   -3.318800     -0.2614000       1.218200    
 C    5.505300      -1.022300      0.4173000    
 C   -4.652200     -0.7078000      -1.191100    
 C   -4.635600     -0.7216000       1.224600    
 C   -5.302300     -0.9448000      2.0000000E-02
 H   -1.896600       2.521700      1.3000000E-02
 H    2.332600       1.804100      2.7600000E-02
 H    5.070900     -0.9234000      -1.694200    
 H    4.303400      -2.289100     -0.8497000    
 H    3.396900      0.4705000      -1.110900    
 H   -2.843200     -6.8700001E-02  -2.150600    
 H   -2.813600     -9.3300000E-02   2.166400    
 H    6.402200      -1.640300      0.3165000    
 H    5.016800      -1.271100       1.365000    
 H   -5.171400     -0.8818000      -2.129100    
 H   -5.141800     -0.9064000       2.167600    
 H   -6.327600      -1.303200      2.4900001E-02
 H   0.3661000      -2.281800     -0.1596000    
 H    5.105600      0.8797000      0.5507000    


%chk=000116138-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116138

0 1
I 0.297705 4.473964 -1.257802
O -0.285708 -1.702969 0.119314
O 2.185966 -1.964125 -0.064223
O 5.845561 0.027294 1.417813
N 3.594712 -0.215001 -0.585502
C -1.327778 0.448184 -0.261566
C 1.151375 0.196739 -0.432608
C -0.149255 -0.370330 -0.180992
C -2.701711 -0.090766 -0.040875
C -1.161570 1.819622 -0.571497
C 1.266689 1.578214 -0.750005
C 2.333271 -0.704878 -0.353020
C 0.115939 2.373451 -0.813753
C 4.786955 -1.086766 -0.548749
C -3.791427 0.426580 -0.797516
C -2.974100 -1.091324 0.933319
C 5.361862 -1.249317 0.873105
C -5.108908 -0.028068 -0.581013
C -4.293600 -1.540156 1.153266
C -5.367958 -1.012235 0.400783
H -2.045215 2.463586 -0.594095
H 2.240143 2.039268 -0.943139
H 5.553669 -0.638187 -1.204131
H 4.506507 -2.079590 -0.943411
H 3.722172 0.763536 -0.839245
H -3.603017 1.166386 -1.584449
H -2.150407 -1.517468 1.509737
H 6.250737 -1.900392 0.831138
H 4.606612 -1.717499 1.534093
H -5.929253 0.377114 -1.183848
H -4.481793 -2.306952 1.913047
H -6.390203 -1.368395 0.570370
H 0.673811 -2.118536 0.100744
H 5.068816 0.566116 1.712211


