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	hartrees
Energy at 0K	-732.152448
Energy at 298.15K	-732.156849
HF Energy	-732.152448
Nuclear repulsion energy	241.889790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3003	0.70
2	A'	3237	2932	1.41
3	A'	1640	1485	1.96
4	A'	1602	1451	28.93
5	A'	1367	1238	197.43
6	A'	1245	1128	167.42
7	A'	963	872	161.51
8	A'	666	603	105.28
9	A'	543	492	34.00
10	A'	411	372	5.23
11	A'	315	285	0.34
12	A"	3345	3030	0.35
13	A"	1651	1495	1.73
14	A"	1421	1287	184.24
15	A"	1133	1026	24.42
16	A"	419	380	1.06
17	A"	332	301	2.20
18	A"	267	242	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	-0.001	0.000
C2	-0.830	1.428	0.000
Cl3	1.478	-0.114	0.000
F4	-0.830	-0.662	1.096
F5	-0.830	-0.662	-1.096
H6	-1.913	1.457	0.000
H7	-0.458	1.922	0.883
H8	-0.458	1.922	-0.883

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4932	1.8773	1.3518	1.3518	2.1041	2.1167	2.1167
C2	1.4932		2.7761	2.3597	2.3597	1.0830	1.0780	1.0780
Cl3	1.8773	2.7761		2.6134	2.6134	3.7375	2.9456	2.9456
F4	1.3518	2.3597	2.6134		2.1923	2.6199	2.6191	3.2758
F5	1.3518	2.3597	2.6134	2.1923		2.6199	3.2758	2.6191
H6	2.1041	1.0830	3.7375	2.6199	2.6199		1.7638	1.7638
H7	2.1167	1.0780	2.9456	2.6191	3.2758	1.7638		1.7658
H8	2.1167	1.0780	2.9456	3.2758	2.6191	1.7638	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.475	C1	C2	H7	109.768
C1	C2	H8	109.768	C2	C1	Cl3	110.386
C2	C1	F4	111.983	C2	C1	F5	111.983
Cl3	C1	F4	106.934	Cl3	C1	F5	106.934
F4	C1	F5	108.364	H6	C2	H7	109.413
H6	C2	H8	109.413	H7	C2	H8	109.980

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

using model chemistry: HF/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	0.614
2	C	-0.665
3	Cl	-0.017
4	F	-0.365
5	F	-0.365
6	H	0.268
7	H	0.265
8	H	0.265

	x	y	z	Total
	-1.483	2.667	0.000	3.052
CHELPG
AIM
ESP

	x	y	z
x	5.802	-0.388	0.000
y	-0.388	3.160	0.000
z	0.000	0.000	3.165

<r²>	134.148
(<r²>)^1/2	11.582

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

using model chemistry: HF/3-21G

States and conformations

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