11 Methylenecyclopropane - sites on all atoms .000000 .000000 3.075644 C -.013812 3.1 .279161 0.000000 0.000000 -.066864 0.000000 0.000000 .465866 0.000000 .284031 0.000000 0.000000 -2.615606 0.000000 0.000000 0.000000 1.998091 0.000000 0.000000 2.124760 0.000000 0.000000 0.000000 -.195984 0.000000 0.0 0.0 1.81737 bc. 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 .000000 .000000 .559095 C .052416 3.1 -.299502 0.000000 0.000000 .720430 0.000000 0.000000 -.039486 0.000000 -1.722339 0.000000 0.000000 3.018090 0.000000 0.000000 0.000000 3.184495 0.000000 0.000000 1.987912 0.000000 0.000000 0.000000 -.725464 0.000000 -1.456412 .000000 -1.777552 C .084340 3.1 .107176 .138736 0.000000 -.366272 .744974 0.000000 .369669 0.000000 -2.475435 -.491248 0.000000 1.200467 0.000000 -.533730 0.000000 -1.430164 -1.928019 0.000000 -.245106 0.000000 3.040682 0.000000 1.471908 0.000000 1.456412 .000000 -1.777552 C .084340 3.1 .107176 -.138736 0.000000 -.366272 -.744974 0.000000 .369669 0.000000 -2.475435 .491248 0.000000 1.200467 0.000000 .533730 0.000000 -1.430164 1.928019 0.000000 -.245106 0.000000 -3.040682 0.000000 1.471908 0.000000 -1.727210 .000000 4.189637 H -.045013 0.505 .139329 -.171710 0.000000 -.013285 .041960 0.000000 .005716 0.000000 .008661 -.020112 0.000000 -.025622 0.000000 .039889 0.000000 .000830 .029249 0.000000 .005096 0.000000 -.047925 0.000000 .040494 0.000000 1.727210 .000000 4.189637 H -.045013 0.505 .139329 .171710 0.000000 -.013285 -.041960 0.000000 .005716 0.000000 .008661 .020112 0.000000 -.025622 0.000000 -.039889 0.000000 .000830 -.029249 0.000000 .005096 0.000000 .047925 0.000000 .040494 0.000000 -2.441527 -1.722864 -2.331809 H -.029315 0.505 -.058669 -.099169 -.154920 -.006741 -.005813 -.010432 -.014655 -.010359 -.018318 -.013496 -.032898 -.015333 .016879 -.045088 -.020664 .018365 -.018410 -.039616 .018296 -.024822 -.039443 -.008454 -.012556 -.061001 2.441527 -1.722864 -2.331809 H -.029315 0.505 -.058669 .099169 -.154920 -.006741 .005813 -.010432 -.014655 .010359 -.018318 .013496 -.032898 -.015333 -.016879 .045088 -.020664 .018365 .018410 -.039616 .018296 .024822 .039443 -.008454 -.012556 .061001 -2.441527 1.722864 -2.331809 H -.029315 0.505 -.058669 -.099169 .154920 -.006741 -.005813 .010432 -.014655 .010359 -.018318 -.013496 .032898 -.015333 -.016879 -.045088 .020664 .018365 -.018410 .039616 .018296 .024822 -.039443 .008454 -.012556 .061001 2.441527 1.722864 -2.331809 H -.029315 0.505 -.058669 .099169 .154920 -.006741 .005813 .010432 -.014655 -.010359 -.018318 .013496 .032898 -.015333 .016879 .045088 .020664 .018365 .018410 .039616 .018296 -.024822 .039443 .008454 -.012556 -.061001 2 HF (Le Sueur,Stone,Fowler) 0.0 0.0 0.0 Fluorine -0.538 -0.175 0.0 0.0 0.186 0.0 0.0 0.0 0.0 -0.106 0.0 0.0 0.0 0.0 0.0 0.0 -0.084 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.732 Hydrogen 0.538 0.505 0.000 0.0 0.0 0.087 0.0 0.0 0.0 0.0 -0.103 0.0 0.0 0.0 0.0 0.0 0.0 0.134 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 C * 1.7 C C C H 1.2 H 1.2 H 1.2 H 1.2 H 1.2 H 1.2 F H 0.0 1 1 2 2 0.0 0.0 1.294635 1.7 0.0 0.0 0.628785 1.7 3 1 12 2 0 0 2 12 13 2 0 2 12 2 3 0