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	hartrees
Energy at 0K	-737.502232
Energy at 298.15K	-737.506577
HF Energy	-737.502232
Nuclear repulsion energy	245.553887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3048	3.41
2	A'	3099	2957	1.44
3	A'	1490	1422	0.41
4	A'	1433	1368	51.13
5	A'	1274	1216	133.72
6	A'	1148	1095	195.35
7	A'	928	885	95.95
8	A'	683	652	65.63
9	A'	545	520	15.21
10	A'	432	412	2.55
11	A'	304	290	0.94
12	A"	3212	3065	1.97
13	A"	1490	1422	0.98
14	A"	1267	1209	189.12
15	A"	1001	955	31.87
16	A"	430	410	0.00
17	A"	334	319	0.74
18	A"	261	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.354	0.001	0.000
C2	-0.812	1.430	0.000
Cl3	1.436	-0.130	0.000
F4	-0.812	-0.650	1.083
F5	-0.812	-0.650	-1.083
H6	-1.905	1.436	0.000
H7	-0.446	1.940	0.891
H8	-0.446	1.940	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5010	1.7950	1.3441	1.3441	2.1132	2.1364	2.1364
C2	1.5010		2.7365	2.3451	2.3451	1.0928	1.0901	1.0901
Cl3	1.7950	2.7365		2.5495	2.5495	3.6899	2.9359	2.9359
F4	1.3441	2.3451	2.5495		2.1663	2.5919	2.6232	3.2772
F5	1.3441	2.3451	2.5495	2.1663		2.5919	3.2772	2.6232
H6	2.1132	1.0928	3.6899	2.5919	2.5919		1.7827	1.7827
H7	2.1364	1.0901	2.9359	2.6232	3.2772	1.7827		1.7814
H8	2.1364	1.0901	2.9359	3.2772	2.6232	1.7827	1.7814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.086	C1	C2	H7	110.064
C1	C2	H8	110.064	C2	C1	Cl3	111.943
C2	C1	F4	110.907	C2	C1	F5	110.907
Cl3	C1	F4	107.754	Cl3	C1	F5	107.754
F4	C1	F5	107.385	H6	C2	H7	109.506
H6	C2	H8	109.506	H7	C2	H8	109.590

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

using model chemistry: HSEh1PBE/6-31G**

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	0.444
2	C	-0.431
3	Cl	-0.035
4	F	-0.247
5	F	-0.247
6	H	0.172
7	H	0.172
8	H	0.172

	x	y	z	Total
	-0.972	1.946	0.000	2.175
CHELPG
AIM
ESP

	x	y	z
x	6.079	-0.378	0.000
y	-0.378	4.244	0.000
z	0.000	0.000	4.056

<r²>	129.538
(<r²>)^1/2	11.381

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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