%chk=000031696.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031696

0 1
 I   0.2489000       1.731500      -1.323900    
 I   0.3583000      -4.181600      0.1025000    
 I    5.439100      -1.066500      0.3520000    
 O  -0.7058000      -1.269000     -0.7979000    
 O   -2.626800      -2.426600       1.941600    
 O   -2.733700      -3.093100     -0.2217000    
 O    3.225100       2.277100       1.527400    
 N    3.378700       1.283900     -0.6035000    
 C   -1.572500      -1.014400      0.3046000    
 C   -2.445500      0.1580000      7.4000000E-03
 C   -2.368500       1.303800      0.7992000    
 C   0.6387000      -1.198000     -0.5514000    
 C   -3.185700       2.399600      0.5212000    
 C   -3.339600      0.1080000      -1.062200    
 C    1.317900      9.2000002E-03 -0.7048000    
 C    2.688400      7.2999999E-02 -0.4525000    
 C   -4.079700       2.349600     -0.5484000    
 C   -4.156600       1.203900      -1.340000    
 C   -2.356000      -2.286000      0.6176000    
 C    1.325000      -2.341500     -0.1468000    
 C    3.377100      -1.070400     -4.7600001E-02
 C    2.695500      -2.277600      0.1053000    
 C   -3.104500       3.624700       1.368300    
 C    3.595100       2.274300      0.3579000    
 C    4.387100       3.428100     -0.2042000    
 H  -0.9679000     -0.8076000       1.200900    
 H   -1.678600       1.345200       1.639100    
 H   -3.408600     -0.7738000      -1.693400    
 H   -4.720000       3.197500     -0.7767000    
 H   -4.851100       1.165700      -2.174200    
 H    3.231400      -3.170200      0.4212000    
 H   -2.875300       3.369200       2.408400    
 H   -2.323800       4.291700      0.9895000    
 H   -4.055800       4.167500       1.374000    
 H    3.655400       1.493700      -1.560200    
 H   -3.142000      -3.241100       2.124500    
 H    5.307900       3.061400     -0.6668000    
 H    4.649200       4.122900      0.5984000    
 H    3.787100       3.954700     -0.9515000    


%chk=000031696-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031696

0 1
I 0.409201 0.706914 -2.455280
I 0.380828 -4.030231 1.464242
I 4.897881 0.059844 1.731517
O -0.658966 -1.839849 -0.775802
O -3.603557 -3.106469 0.698493
O -3.194126 -2.872409 -1.578256
O 1.584537 2.843453 0.429295
N 3.064440 1.393763 -0.645178
C -1.887336 -1.560131 0.084134
C -2.340572 -0.116119 -0.029832
C -1.834254 0.818967 0.904714
C 0.554070 -1.414479 -0.219612
C -2.144443 2.198874 0.814050
C -3.202391 0.321730 -1.067899
C 1.218119 -0.265515 -0.737602
C 2.446605 0.192572 -0.181217
C -3.017030 2.615937 -0.222721
C -3.543706 1.686592 -1.150536
C -2.926226 -2.565210 -0.401824
C 1.212678 -2.173024 0.788511
C 3.044538 -0.576093 0.852249
C 2.452036 -1.764765 1.322586
C -1.517964 3.192582 1.772986
C 2.589806 2.670219 -0.312136
C 3.364638 3.818497 -0.946829
H -1.634538 -1.797490 1.132202
H -1.167320 0.476293 1.707150
H -3.579224 -0.391132 -1.808790
H -3.279588 3.677499 -0.306726
H -4.214874 2.032342 -1.944856
H 2.943214 -2.361567 2.093237
H -1.582273 2.842468 2.819704
H -0.446483 3.320833 1.529635
H -2.007803 4.179829 1.711972
H 3.929353 1.318210 -1.185193
H -4.320491 -3.717801 0.375136
H 4.401506 3.550218 -1.214821
H 3.377796 4.669668 -0.248661
H 2.839823 4.141779 -1.864741


