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	hartrees
Energy at 0K	-736.814652
Energy at 298.15K	-736.819104
HF Energy	-735.943418
Nuclear repulsion energy	245.711226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3031	6.43
2	A'	3088	2947	2.54
3	A'	1500	1431	0.14
4	A'	1455	1389	37.91
5	A'	1278	1219	131.46
6	A'	1177	1123	193.27
7	A'	942	898	107.94
8	A'	702	670	47.19
9	A'	554	528	15.99
10	A'	447	427	0.51
11	A'	313	298	0.84
12	A"	3190	3044	4.77
13	A"	1502	1433	1.21
14	A"	1260	1202	176.62
15	A"	1008	962	45.42
16	A"	441	420	0.01
17	A"	346	330	0.47
18	A"	272	260	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.344	-0.003	0.000
C2	-0.812	1.430	0.000
Cl3	1.432	-0.124	0.000
F4	-0.812	-0.653	1.083
F5	-0.812	-0.653	-1.083
H6	-1.906	1.433	0.000
H7	-0.441	1.938	0.892
H8	-0.441	1.938	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5076	1.7805	1.3472	1.3472	2.1210	2.1383	2.1383
C2	1.5076		2.7302	2.3484	2.3484	1.0938	1.0916	1.0916
Cl3	1.7805	2.7302		2.5474	2.5474	3.6832	2.9256	2.9256
F4	1.3472	2.3484	2.5474		2.1660	2.5923	2.6246	3.2794
F5	1.3472	2.3484	2.5474	2.1660		2.5923	3.2794	2.6246
H6	2.1210	1.0938	3.6832	2.5923	2.5923		1.7880	1.7880
H7	2.1383	1.0916	2.9256	2.6246	3.2794	1.7880		1.7849
H8	2.1383	1.0916	2.9256	3.2794	2.6246	1.7880	1.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.188	C1	C2	H7	109.667
C1	C2	H8	109.667	C2	C1	Cl3	111.994
C2	C1	F4	110.566	C2	C1	F5	110.566
Cl3	C1	F4	108.267	Cl3	C1	F5	108.267
F4	C1	F5	107.007	H6	C2	H7	109.805
H6	C2	H8	109.805	H7	C2	H8	109.688

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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