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	hartrees
Energy at 0K	-835.148770
Energy at 298.15K	-835.152457
HF Energy	-834.554009
Nuclear repulsion energy	312.092905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3036	3.34
2	A'	1541	1474	14.52
3	A'	1393	1333	11.99
4	A'	1304	1248	169.83
5	A'	1150	1100	204.21
6	A'	821	785	27.87
7	A'	751	718	19.25
8	A'	595	570	34.12
9	A'	490	469	9.56
10	A'	335	321	1.10
11	A'	180	172	2.46
12	A"	3254	3114	0.23
13	A"	1340	1282	93.37
14	A"	1124	1075	123.07
15	A"	934	894	15.63
16	A"	490	469	3.61
17	A"	340	325	1.85
18	A"	99	95	4.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.859	0.517	0.000
C2	0.651	0.447	0.000
Cl3	-1.631	-1.180	0.000
H4	-1.196	1.032	0.899
H5	-1.196	1.032	-0.899
F6	1.162	1.759	0.000
F7	1.162	-0.201	1.130
F8	1.162	-0.201	-1.130

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5114	1.8644	1.0901	1.0901	2.3719	2.4233	2.4233
C2	1.5114		2.8031	2.1363	2.1363	1.4082	1.3985	1.3985
Cl3	1.8644	2.8031		2.4271	2.4271	4.0548	3.1681	3.1681
H4	1.0901	2.1363	2.4271		1.7988	2.6264	2.6705	3.3460
H5	1.0901	2.1363	2.4271	1.7988		2.6264	3.3460	2.6705
F6	2.3719	1.4082	4.0548	2.6264	2.6264		2.2622	2.2622
F7	2.4233	1.3985	3.1681	2.6705	3.3460	2.2622		2.2592
F8	2.4233	1.3985	3.1681	3.3460	2.6705	2.2622	2.2592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.610	C1	C2	F7	112.706
C1	C2	F8	112.706	C2	C1	Cl3	111.841
C2	C1	H4	109.336	C2	C1	H5	109.336
Cl3	C1	H4	107.565	Cl3	C1	H5	107.565
H4	C1	H5	111.192	F6	C2	F7	107.408
F6	C2	F8	107.408	F7	C2	F8	107.745

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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