 SOPT WB97X-D 6-31G* FREQ
aspirin
0 1
 1   2.626155454  -1.573147515   0.344453150
 6   2.193662352  -0.596284551   0.164311561
 6   1.071771800   1.900088978  -0.301912984
 6   0.822620540  -0.505512444  -0.102298407
 6   2.994911730   0.536227176   0.195411217
 6   2.431566083   1.787085817  -0.041036809
 6   0.273703307   0.764774008  -0.331041200
 1   4.055652392   0.442580534   0.402735705
 1   3.050022372   2.679076443  -0.019362794
 1   0.607736253   2.863019128  -0.484512427
 6  -0.012644231  -1.734733543  -0.156137931
 8  -1.195086943  -1.791160270  -0.411405319
 8   0.699658336  -2.849381285   0.104884627
 1   0.067596051  -3.582730260   0.046241307
 6  -1.984035867   0.747696003   0.323910522
 8  -1.694899940   0.630711139   1.482328077
 8  -1.051399540   0.935594013  -0.662939067
 6  -3.359595162   0.716247181  -0.271534878
 1  -4.102655904   0.822776670   0.518484462
 1  -3.482930823  -0.251744494  -0.766448918
 1  -3.479514420   1.500528965  -1.022563574
ENDCART
ATOMLABELS
"H1"
"C1"
"C4"
"C2"
"C6"
"C5"
"C3"
"H6"
"H5"
"H4"
"C7"
"O1"
"O2"
"H8"
"C8"
"O3"
"O4"
"C9"
"H3"
"H7"
"H9"
ENDATOMLABELS
HESSIAN
   13    3    3    3    3    3    3   13   13   13    2    9
    8   13    2    9    8    1   13   13   13
    1    2    1
    2    5    5
    5    6    5
    3    6    5
    3    7    5
    4    7    5
    2    4    5
    6    9    1
    3   10    1
    5    8    1
   11   12    2
   11   13    1
   13   14    1
    4   11    1
   15   16    2
   15   17    1
    7   17    1
   18   19    1
   18   20    1
   18   21    1
   15   18    1
ENDHESS
CONFORMER
    4   11    2
    7   17    3
ENDCONFORMER
BEGINPROPIN
ENDPROPIN
BEGINPREFERENCES
 MM:CONF_SELECTION_RULE=12
ENDPREFERENCES
