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	hartrees
Energy at 0K	-734.104628
Energy at 298.15K	-734.108573
HF Energy	-734.104628
Nuclear repulsion energy	234.878009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3068	2.39
2	A'	3005	2988	3.39
3	A'	1509	1501	1.87
4	A'	1439	1431	22.05
5	A'	1211	1204	159.06
6	A'	1114	1107	118.07
7	A'	840	835	115.05
8	A'	581	577	85.44
9	A'	485	482	26.25
10	A'	339	337	16.62
11	A'	271	270	0.18
12	A"	3117	3100	1.31
13	A"	1510	1502	1.62
14	A"	1249	1242	145.50
15	A"	995	989	32.16
16	A"	370	368	0.39
17	A"	276	275	1.53
18	A"	249	247	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.440	-0.016	0.000
C2	-0.860	1.436	0.000
Cl3	1.540	-0.081	0.000
F4	-0.860	-0.695	1.126
F5	-0.860	-0.695	-1.126
H6	-1.961	1.487	0.000
H7	-0.471	1.932	0.898
H8	-0.471	1.932	-0.898

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5115	1.9803	1.3805	1.3805	2.1383	2.1448	2.1448
C2	1.5115		2.8384	2.4102	2.4102	1.1028	1.0964	1.0964
Cl3	1.9803	2.8384		2.7205	2.7205	3.8356	2.9831	2.9831
F4	1.3805	2.4102	2.7205		2.2529	2.6907	2.6649	3.3385
F5	1.3805	2.4102	2.7205	2.2529		2.6907	3.3385	2.6649
H6	2.1383	1.1028	3.8356	2.6907	2.6907		1.7956	1.7956
H7	2.1448	1.0964	2.9831	2.6649	3.3385	1.7956		1.7952
H8	2.1448	1.0964	2.9831	3.3385	2.6649	1.7956	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.741	C1	C2	H7	109.628
C1	C2	H8	109.628	C2	C1	Cl3	108.001
C2	C1	F4	112.822	C2	C1	F5	112.822
Cl3	C1	F4	106.729	Cl3	C1	F5	106.729
F4	C1	F5	109.364	H6	C2	H7	109.463
H6	C2	H8	109.463	H7	C2	H8	109.899

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.389
2	C	-0.573
3	Cl	-0.088
4	F	-0.210
5	F	-0.210
6	H	0.226
7	H	0.234
8	H	0.234

	x	y	z	Total
	-2.129	1.997	0.000	2.919
CHELPG
AIM
ESP

	x	y	z
x	6.535	-0.364	0.000
y	-0.364	3.615	0.000
z	0.000	0.000	3.546

<r²>	140.641
(<r²>)^1/2	11.859

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

using model chemistry: BLYP/3-21G

States and conformations

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