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	hartrees
Energy at 0K	-732.837166
Energy at 298.15K	-732.841452
HF Energy	-732.259633
Nuclear repulsion energy	241.892280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3020	3.25
2	A'	3083	2949	1.08
3	A'	1562	1494	1.67
4	A'	1501	1436	23.45
5	A'	1265	1210	140.42
6	A'	1183	1131	119.94
7	A'	918	878	109.24
8	A'	647	619	63.55
9	A'	517	495	19.57
10	A'	415	397	0.90
11	A'	310	297	0.72
12	A"	3179	3041	2.06
13	A"	1567	1499	3.60
14	A"	1315	1258	116.86
15	A"	1051	1006	25.26
16	A"	406	388	0.78
17	A"	325	311	0.94
18	A"	262	251	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.349	-0.001	0.000
C2	-0.820	1.438	0.000
Cl3	1.448	-0.116	0.000
F4	-0.820	-0.666	1.119
F5	-0.820	-0.666	-1.119
H6	-1.917	1.440	0.000
H7	-0.453	1.945	0.896
H8	-0.453	1.945	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5145	1.8004	1.3838	1.3838	2.1293	2.1453	2.1453
C2	1.5145		2.7495	2.3827	2.3827	1.0966	1.0931	1.0931
Cl3	1.8004	2.7495		2.5878	2.5878	3.7069	2.9435	2.9435
F4	1.3838	2.3827	2.5878		2.2372	2.6241	2.6461	3.3182
F5	1.3838	2.3827	2.5878	2.2372		2.6241	3.3182	2.6461
H6	2.1293	1.0966	3.7069	2.6241	2.6241		1.7894	1.7894
H7	2.1453	1.0931	2.9435	2.6461	3.3182	1.7894		1.7917
H8	2.1453	1.0931	2.9435	3.3182	2.6461	1.7894	1.7917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.205	C1	C2	H7	109.655
C1	C2	H8	109.655	C2	C1	Cl3	111.793
C2	C1	F4	110.511	C2	C1	F5	110.511
Cl3	C1	F4	108.010	Cl3	C1	F5	108.010
F4	C1	F5	107.871	H6	C2	H7	109.608
H6	C2	H8	109.608	H7	C2	H8	110.080

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

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

using model chemistry: CCD/3-21G*

States and conformations

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