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	hartrees
Energy at 0K	-732.619132
Energy at 298.15K	-732.623317
HF Energy	-732.149971
Nuclear repulsion energy	237.554656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3061	1.01
2	A'	3123	2981	0.93
3	A'	1579	1507	2.37
4	A'	1515	1447	25.68
5	A'	1276	1218	161.61
6	A'	1183	1129	133.60
7	A'	901	860	127.99
8	A'	619	591	81.74
9	A'	510	487	25.60
10	A'	374	357	7.02
11	A'	292	279	0.16
12	A"	3235	3088	0.38
13	A"	1584	1512	2.84
14	A"	1326	1266	141.46
15	A"	1058	1010	31.39
16	A"	391	373	0.81
17	A"	304	290	1.82
18	A"	267	255	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.411	-0.005	0.000
C2	-0.848	1.434	0.000
Cl3	1.511	-0.100	0.000
F4	-0.848	-0.677	1.121
F5	-0.848	-0.677	-1.121
H6	-1.941	1.463	0.000
H7	-0.468	1.930	0.892
H8	-0.468	1.930	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5038	1.9247	1.3776	1.3776	2.1210	2.1319	2.1319
C2	1.5038		2.8138	2.3899	2.3899	1.0941	1.0894	1.0894
Cl3	1.9247	2.8138		2.6746	2.6746	3.7902	2.9725	2.9725
F4	1.3776	2.3899	2.6746		2.2410	2.6520	2.6445	3.3156
F5	1.3776	2.3899	2.6746	2.2410		2.6520	3.3156	2.6445
H6	2.1210	1.0941	3.7902	2.6520	2.6520		1.7846	1.7846
H7	2.1319	1.0894	2.9725	2.6445	3.3156	1.7846		1.7848
H8	2.1319	1.0894	2.9725	3.3156	2.6445	1.7846	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.427	C1	C2	H7	109.556
C1	C2	H8	109.556	C2	C1	Cl3	109.703
C2	C1	F4	112.006	C2	C1	F5	112.006
Cl3	C1	F4	107.011	Cl3	C1	F5	107.011
F4	C1	F5	108.861	H6	C2	H7	109.635
H6	C2	H8	109.635	H7	C2	H8	110.006

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)