%chk=000031699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031699

0 1
 I    1.349600       2.225900       1.241600    
 I    4.196300      -2.736300     -0.9595000    
 I   -1.645000      -2.971100      0.2262000    
 O   -1.007400      8.0300003E-02   1.067700    
 O   -1.919900       3.001600     -0.7124000    
 O    5.159200       1.767200      -1.042200    
 O   -1.841300       2.700600       1.532300    
 N    3.713500      0.3103000      0.1208000    
 C   -1.804000      0.7374000      8.6199999E-02
 C   -3.158200      0.1100000      2.6400000E-02
 C    2.508600     -0.4060000      0.1507000    
 C   0.1451000     -0.5131000      0.6274000    
 C   -3.869700      5.2000001E-02  -1.171800    
 C    4.536300      0.3588000       1.365300    
 C    1.338300      0.2061000      0.5996000    
 C    2.483400      -1.735800     -0.2693000    
 C   -3.709400     -0.4232000       1.191400    
 C   0.1176000      -1.841700      0.2082000    
 C    1.287900      -2.453800     -0.2406000    
 C    4.143100       1.068200      -1.018400    
 C   -5.132800     -0.5391000      -1.204900    
 C   -1.845600       2.228800      0.4027000    
 C    5.592000     -0.7337000       1.368300    
 C   -3.299900      0.6159000      -2.432000    
 C   -4.972400      -1.014200       1.158200    
 C   -5.684100      -1.072200     -3.9900001E-02
 C    3.318700      0.9771000      -2.282000    
 H   -1.288900      0.6420000     -0.8776000    
 H    5.026700       1.337200       1.414800    
 H    3.890000      0.2629000       2.244500    
 H   -3.188900     -0.3721000       2.144100    
 H    1.266800      -3.491100     -0.5683000    
 H   -5.701400     -0.5923000      -2.129500    
 H    5.160400      -1.708700       1.601500    
 H    6.158900     -0.7666000      0.4340000    
 H    6.310600     -0.5298000       2.170800    
 H   -3.196800       1.701000      -2.371000    
 H   -2.339000      0.1545000      -2.678900    
 H   -3.958900      0.4158000      -3.285300    
 H   -5.404000      -1.425000       2.066300    
 H   -6.668000      -1.531400     -6.5200001E-02
 H    2.272500       1.220000      -2.083400    
 H    3.392800     -2.2700001E-02  -2.713600    
 H    3.695900       1.697000      -3.015100    
 H   -1.960200       3.956800     -0.4930000    


%chk=000031699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031699

0 1
I 1.414471 2.333528 0.848177
I 3.735236 -3.195538 -0.747163
I -1.820337 -2.860312 1.664075
O -1.089985 0.312703 1.536099
O -2.403235 3.490683 0.526935
O 4.941194 1.176720 -1.726691
O -2.617778 2.434271 2.589986
N 3.559391 0.121840 -0.190712
C -1.889415 1.159579 0.574235
C -3.092539 0.407947 0.021735
C 2.328520 -0.537246 0.138773
C -0.016492 -0.413088 1.005024
C -3.141040 0.022051 -1.351229
C 4.493128 0.512211 0.914137
C 1.209124 0.207647 0.624495
C 2.174632 -1.950255 0.042673
C -4.163849 0.089249 0.894522
C -0.089387 -1.832883 0.953408
C 0.991986 -2.592818 0.463715
C 3.866869 0.548185 -1.497082
C -4.280336 -0.690916 -1.802489
C -2.324954 2.383064 1.382381
C 5.763046 -0.355483 0.997078
C -2.027361 0.355075 -2.333482
C -5.287352 -0.619735 0.425435
C -5.344263 -1.012661 -0.931133
C 2.848107 0.236494 -2.587319
H -1.232128 1.504697 -0.238754
H 4.779042 1.564182 0.735205
H 3.922445 0.465372 1.858504
H -4.099774 0.386129 1.947377
H 0.912180 -3.680411 0.413043
H -4.332375 -0.996693 -2.854107
H 5.528104 -1.407101 1.231522
H 6.314366 -0.315605 0.043575
H 6.421113 0.040127 1.793182
H -1.897999 1.447394 -2.454013
H -1.052904 -0.062183 -2.015509
H -2.253368 -0.061476 -3.329145
H -6.107668 -0.864834 1.108415
H -6.211549 -1.564665 -1.310338
H 1.858244 0.667682 -2.350518
H 2.723673 -0.852650 -2.722724
H 3.215821 0.673587 -3.527093
H -2.756203 4.273634 1.030895


