2,2-Difluoroethylamine



2,2-Difluoroethylamine I. Optimized molecular structures.

C C,1,B1 F,1,B2,2,A1 F,1,B3,2,A2,3,D1,0 H,1,B4,2,A3,3,D2,0 H,2,B5,1,A4,3,D3,0 H,2,B6,1,A5,3,D4,0 N,2,B7,1,A6,3,D5,0 H,8,B8,2,A7,1,D6,0 H,8,B9,2,A8,1,D7,0

MP2/6-311+G(3df,3pd)	MP2/aug-cc-pVTZ

B1=1.50415997 B2=1.36483823 B3=1.35935995 B4=1.08763675 B5=1.08815622 B6=1.09406512 B7=1.45454992 B8=1.0104654 B9=1.01190592 A1=109.24961095 A2=109.94953189 A3=113.46543508 A4=107.65559261 A5=107.45794591 A6=108.3989505 A7=110.75337561 A8=110.21906111 D1=117.42873334 D2=-120.31465157 D3=-177.85445511 D4=-61.28127498 D5=64.09260689 D6=170.98808473 D7=-70.56184246	B1=1.50435685 B2=1.3695772 B3=1.3638813 B4=1.08840209 B5=1.08909068 B6=1.09483946 B7=1.45644975 B8=1.01102212 B9=1.01245934 A1=109.307139 A2=109.94591027 A3=113.59609371 A4=107.62666863 A5=107.48039371 A6=108.40113258 A7=110.62760172 A8=110.16567048 D1=117.24521024 D2=-120.39981527 D3=-177.75517883 D4=-61.23862196 D5=64.2357288 D6=171.08414798 D7=-70.52280502

2,2-Difluoroethylamine III. Optimized molecular structures.

C C,1,B1 F,1,B2,2,A1 H,1,B3,2,A2,3,D1,0 F,1,B4,2,A3,3,D2,0 H,2,B5,1,A4,3,D3,0 H,2,B6,1,A5,3,D4,0 N,2,B7,1,A6,3,D5,0 H,8,B8,2,A7,1,D6,0 H,8,B9,2,A8,1,D7,0

MP2/6-311+G(3df,3pd)	MP2/aug-cc-pVTZ

B1=1.51101704 B2=1.36300504 B3=1.08929259 B4=1.36300504 B5=1.08940267 B6=1.08940267 B7=1.44945391 B8=1.0121807 B9=1.0121807 A1=109.95436224 A2=113.86503586 A3=109.95436224 A4=107.68151855 A5=107.68151855 A6=114.69974815 A7=110.04885207 A8=110.04885207 D1=121.26106939 D2=-117.47786122 D3=-179.15818299 D4=-63.3639558 D5=58.73893061 D6=-58.72567141 D7=58.72567141	B1=1.51123025 B2=1.36772469 B3=1.09010527 B4=1.36772469 B5=1.09027036 B6=1.09027036 B7=1.45099795 B8=1.01274699 B9=1.01274699 A1=110.02581836 A2=113.94394988 A3=110.02581836 A4=107.62216854 A5=107.62216854 A6=114.92783479 A7=110.02506254 A8=110.02506254 D1=121.34835919 D2=-117.30328161 D3=-179.17060518 D4=-63.52611321 D5=58.65164081 D6=-58.70110397 D7=58.70110397


		CHF2CH2NH2_zm.html
		Last modified: 2 Jan 2014