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	hartrees
Energy at 0K	-737.841971
Energy at 298.15K	-737.846070
HF Energy	-737.841971
Nuclear repulsion energy	241.764899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3070	3053	5.77
2	A'	2990	2974	3.70
3	A'	1443	1435	0.37
4	A'	1373	1366	19.83
5	A'	1191	1185	128.59
6	A'	1085	1079	137.96
7	A'	857	852	109.08
8	A'	630	627	69.73
9	A'	522	519	15.18
10	A'	390	388	9.07
11	A'	285	284	0.72
12	A"	3092	3075	3.56
13	A"	1440	1433	1.09
14	A"	1176	1169	140.35
15	A"	947	942	48.97
16	A"	407	405	0.00
17	A"	311	310	0.52
18	A"	227	226	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.377	-0.001	0.000
C2	-0.828	1.451	0.000
Cl3	1.468	-0.130	0.000
F4	-0.828	-0.660	1.093
F5	-0.828	-0.660	-1.093
H6	-1.928	1.472	0.000
H7	-0.451	1.960	0.896
H8	-0.451	1.960	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5202	1.8494	1.3542	1.3542	2.1390	2.1567	2.1567
C2	1.5202		2.7878	2.3777	2.3777	1.1006	1.0970	1.0970
Cl3	1.8494	2.7878		2.5975	2.5975	3.7552	2.9756	2.9756
F4	1.3542	2.3777	2.5975		2.1869	2.6368	2.6541	3.3111
F5	1.3542	2.3777	2.5975	2.1869		2.6368	3.3111	2.6541
H6	2.1390	1.1006	3.7552	2.6368	2.6368		1.7952	1.7952
H7	2.1567	1.0970	2.9756	2.6541	3.3111	1.7952		1.7923
H8	2.1567	1.0970	2.9756	3.3111	2.6541	1.7952	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.338	C1	C2	H7	109.924
C1	C2	H8	109.924	C2	C1	Cl3	111.277
C2	C1	F4	111.489	C2	C1	F5	111.489
Cl3	C1	F4	107.337	Cl3	C1	F5	107.337
F4	C1	F5	107.692	H6	C2	H7	109.545
H6	C2	H8	109.545	H7	C2	H8	109.546

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

using model chemistry: BLYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	0.254
2	C	-0.402
3	Cl	-0.198
4	F	-0.040
5	F	-0.040
6	H	0.136
7	H	0.145
8	H	0.145

	x	y	z	Total
	-1.188	1.800	0.000	2.156
CHELPG
AIM
ESP

	x	y	z
x	6.867	-0.440	0.000
y	-0.440	5.070	0.000
z	0.000	0.000	4.762

<r²>	133.283
(<r²>)^1/2	11.545

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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