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	hartrees
Energy at 0K	-291.467304
Energy at 298.15K	-291.471379
HF Energy	-291.021663
Nuclear repulsion energy	166.622424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3064	5.90
2	A'	3064	2951	2.62
3	A'	1524	1468	5.61
4	A'	1476	1421	24.70
5	A'	1205	1161	108.47
6	A'	1177	1133	130.72
7	A'	847	816	132.24
8	A'	621	598	46.36
9	A'	482	464	17.78
10	A'	397	382	0.48
11	A'	288	278	1.69
12	A"	3189	3071	5.73
13	A"	1521	1464	9.66
14	A"	1189	1146	105.32
15	A"	907	874	112.68
16	A"	406	391	0.06
17	A"	307	296	0.98
18	A"	239	230	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.353	0.031	0.000
C2	-0.850	1.471	0.000
Cl3	1.496	-0.127	0.000
F4	-0.850	-0.683	1.142
F5	-0.850	-0.683	-1.142
H6	-1.951	1.461	0.000
H7	-0.483	1.987	0.899
H8	-0.483	1.987	-0.899

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5236	1.8558	1.4353	1.4353	2.1449	2.1573	2.1573
C2	1.5236		2.8387	2.4377	2.4377	1.1009	1.0998	1.0998
Cl3	1.8558	2.8387		2.6680	2.6680	3.7955	3.0326	3.0326
F4	1.4353	2.4377	2.6680		2.2836	2.6670	2.7063	3.3808
F5	1.4353	2.4377	2.6680	2.2836		2.6670	3.3808	2.7063
H6	2.1449	1.1009	3.7955	2.6670	2.6670		1.7998	1.7998
H7	2.1573	1.0998	3.0326	2.7063	3.3808	1.7998		1.7980
H8	2.1573	1.0998	3.0326	3.3808	2.7063	1.7998	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.547	C1	C2	H7	109.572
C1	C2	H8	109.572	C2	C1	Cl3	113.920
C2	C1	F4	110.907	C2	C1	F5	110.907
Cl3	C1	F4	107.638	Cl3	C1	F5	107.638
F4	C1	F5	105.402	H6	C2	H7	109.739
H6	C2	H8	109.739	H7	C2	H8	109.653

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

using model chemistry: MP2/LANL2DZ

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: MP2/LANL2DZ

States and conformations

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