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	hartrees
Energy at 0K	-835.912642
Energy at 298.15K	-835.916582
HF Energy	-834.879605
Nuclear repulsion energy	322.749587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3001	6.67
2	A'	1491	1414	16.41
3	A'	1407	1334	47.62
4	A'	1314	1245	158.56
5	A'	1184	1122	284.47
6	A'	879	833	26.28
7	A'	824	781	19.14
8	A'	653	619	26.04
9	A'	548	519	5.49
10	A'	363	344	0.56
11	A'	189	180	1.69
12	A"	3243	3074	0.01
13	A"	1329	1260	144.53
14	A"	1153	1093	134.58
15	A"	937	888	17.08
16	A"	545	517	1.76
17	A"	358	340	0.99
18	A"	100	95	3.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.490	0.000
C2	0.650	0.426	0.000
Cl3	-1.590	-1.129	0.000
H4	-1.176	1.023	0.892
H5	-1.176	1.023	-0.892
F6	1.135	1.683	0.000
F7	1.135	-0.194	1.082
F8	1.135	-0.194	-1.082

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5126	1.7756	1.0854	1.0854	2.3255	2.3714	2.3714
C2	1.5126		2.7271	2.1179	2.1179	1.3477	1.3382	1.3382
Cl3	1.7756	2.7271		2.3660	2.3660	3.9160	3.0773	3.0773
H4	1.0854	2.1179	2.3660		1.7836	2.5632	2.6186	3.2737
H5	1.0854	2.1179	2.3660	1.7836		2.5632	3.2737	2.6186
F6	2.3255	1.3477	3.9160	2.5632	2.5632		2.1674	2.1674
F7	2.3714	1.3382	3.0773	2.6186	3.2737	2.1674		2.1643
F8	2.3714	1.3382	3.0773	3.2737	2.6186	2.1674	2.1643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.649	C1	C2	F7	112.428
C1	C2	F8	112.428	C2	C1	Cl3	111.812
C2	C1	H4	108.080	C2	C1	H5	108.080
Cl3	C1	H4	109.187	Cl3	C1	H5	109.187
H4	C1	H5	110.489	F6	C2	F7	107.598
F6	C2	F8	107.598	F7	C2	F8	107.924

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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