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	hartrees
Energy at 0K	-737.922033
Energy at 298.15K	-737.926234
HF Energy	-737.922033
Nuclear repulsion energy	244.597322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3040	6.14
2	A'	3062	2955	3.65
3	A'	1491	1439	0.33
4	A'	1417	1368	25.64
5	A'	1240	1197	126.55
6	A'	1122	1083	157.13
7	A'	896	864	107.64
8	A'	657	634	68.91
9	A'	533	515	15.49
10	A'	414	399	4.17
11	A'	288	278	0.77
12	A"	3170	3059	3.88
13	A"	1489	1437	1.25
14	A"	1224	1181	152.15
15	A"	982	948	42.42
16	A"	411	397	0.01
17	A"	318	307	0.55
18	A"	231	223	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	-0.004	0.000
C2	-0.814	1.441	0.000
Cl3	1.440	-0.132	0.000
F4	-0.814	-0.651	1.085
F5	-0.814	-0.651	-1.085
H6	-1.908	1.448	0.000
H7	-0.445	1.949	0.891
H8	-0.445	1.949	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5148	1.8018	1.3438	1.3438	2.1239	2.1484	2.1484
C2	1.5148		2.7486	2.3567	2.3567	1.0935	1.0907	1.0907
Cl3	1.8018	2.7486		2.5551	2.5551	3.7018	2.9460	2.9460
F4	1.3438	2.3567	2.5551		2.1702	2.6038	2.6338	3.2872
F5	1.3438	2.3567	2.5551	2.1702		2.6038	3.2872	2.6338
H6	2.1239	1.0935	3.7018	2.6038	2.6038		1.7850	1.7850
H7	2.1484	1.0907	2.9460	2.6338	3.2872	1.7850		1.7828
H8	2.1484	1.0907	2.9460	3.2872	2.6338	1.7850	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.937	C1	C2	H7	110.019
C1	C2	H8	110.019	C2	C1	Cl3	111.648
C2	C1	F4	110.912	C2	C1	F5	110.912
Cl3	C1	F4	107.751	Cl3	C1	F5	107.751
F4	C1	F5	107.697	H6	C2	H7	109.611
H6	C2	H8	109.611	H7	C2	H8	109.620

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

using model chemistry: TPSSh/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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All results from a given calculation for CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

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

States and conformations

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