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	hartrees
Energy at 0K	-732.637765
Energy at 298.15K	-732.641950
HF Energy	-732.150259
Nuclear repulsion energy	237.949733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3069	1.89
2	A'	3079	2994	1.48
3	A'	1560	1517	1.95
4	A'	1502	1461	24.81
5	A'	1279	1244	159.42
6	A'	1176	1144	128.12
7	A'	908	883	111.01
8	A'	625	607	68.21
9	A'	511	497	25.04
10	A'	379	368	3.22
11	A'	293	285	0.39
12	A"	3183	3095	1.22
13	A"	1566	1523	2.14
14	A"	1335	1298	139.44
15	A"	1060	1031	22.41
16	A"	390	379	0.83
17	A"	306	298	1.77
18	A"	260	253	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.406	-0.005	0.000
C2	-0.846	1.437	0.000
Cl3	1.507	-0.106	0.000
F4	-0.846	-0.674	1.118
F5	-0.846	-0.674	-1.118
H6	-1.943	1.466	0.000
H7	-0.466	1.936	0.895
H8	-0.466	1.936	-0.895

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5079	1.9157	1.3745	1.3745	2.1272	2.1384	2.1384
C2	1.5079		2.8137	2.3887	2.3887	1.0976	1.0928	1.0928
Cl3	1.9157	2.8137		2.6657	2.6657	3.7910	2.9774	2.9774
F4	1.3745	2.3887	2.6657		2.2350	2.6515	2.6466	3.3176
F5	1.3745	2.3887	2.6657	2.2350		2.6515	3.3176	2.6466
H6	2.1272	1.0976	3.7910	2.6515	2.6515		1.7898	1.7898
H7	2.1384	1.0928	2.9774	2.6466	3.3176	1.7898		1.7906
H8	2.1384	1.0928	2.9774	3.3176	2.6466	1.7898	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.434	C1	C2	H7	109.587
C1	C2	H8	109.587	C2	C1	Cl3	109.973
C2	C1	F4	111.850	C2	C1	F5	111.850
Cl3	C1	F4	107.080	Cl3	C1	F5	107.080
F4	C1	F5	108.782	H6	C2	H7	109.595
H6	C2	H8	109.595	H7	C2	H8	110.020

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)