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	hartrees
Energy at 0K	-99.302227
Energy at 298.15K	-99.306059
HF Energy	-98.441271
Nuclear repulsion energy	146.489915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3002	13.37
2	A'	1499	1423	21.77
3	A'	1408	1336	57.68
4	A'	1305	1239	130.65
5	A'	1174	1114	284.46
6	A'	875	831	34.80
7	A'	817	776	16.10
8	A'	635	603	27.30
9	A'	532	505	6.01
10	A'	356	338	0.69
11	A'	186	176	1.84
12	A"	3252	3087	1.59
13	A"	1327	1260	155.69
14	A"	1145	1087	140.91
15	A"	933	886	13.74
16	A"	528	501	1.81
17	A"	347	329	1.01
18	A"	99	94	3.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.877	0.496	0.000
C2	0.657	0.426	0.000
Cl3	-1.604	-1.134	0.000
H4	-1.195	1.034	0.905
H5	-1.195	1.034	-0.905
F6	1.147	1.698	0.000
F7	1.147	-0.200	1.094
F8	1.147	-0.200	-1.094

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5352	1.7848	1.0996	1.0996	2.3541	2.4038	2.4038
C2	1.5352		2.7469	2.1484	2.1484	1.3632	1.3529	1.3529
Cl3	1.7848	2.7469		2.3848	2.3848	3.9484	3.1043	3.1043
H4	1.0996	2.1484	2.3848		1.8093	2.5968	2.6539	3.3171
H5	1.0996	2.1484	2.3848	1.8093		2.5968	3.3171	2.6539
F6	2.3541	1.3632	3.9484	2.5968	2.5968		2.1913	2.1913
F7	2.4038	1.3529	3.1043	2.6539	3.3171	2.1913		2.1887
F8	2.4038	1.3529	3.1043	3.3171	2.6539	2.1913	2.1887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.483	C1	C2	F7	112.518
C1	C2	F8	112.518	C2	C1	Cl3	111.436
C2	C1	H4	108.116	C2	C1	H5	108.116
Cl3	C1	H4	109.227	Cl3	C1	H5	109.227
H4	C1	H5	110.717	F6	C2	F7	107.562
F6	C2	F8	107.562	F7	C2	F8	107.972

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: MP2/CEP-31G*

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 CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)