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	hartrees
Energy at 0K	-824.846594
Energy at 298.15K	-824.849895
HF Energy	-824.680462
Nuclear repulsion energy	311.260549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3408	3030	0.80
2	A'	1643	1460	2.96
3	A'	1454	1292	10.39
4	A'	1370	1218	64.90
5	A'	1252	1113	109.65
6	A'	933	829	12.84
7	A'	837	744	5.96
8	A'	595	529	23.43
9	A'	493	438	7.96
10	A'	336	298	0.15
11	A'	159	142	1.57
12	A"	3535	3142	0.51
13	A"	1457	1295	84.52
14	A"	1223	1087	8.09
15	A"	957	850	0.64
16	A"	486	432	4.09
17	A"	325	289	0.73
18	A"	51	45	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.925	0.498	0.000
C2	0.679	0.462	0.000
Cl3	-1.611	-1.195	0.000
H4	-1.286	1.024	0.907
H5	-1.286	1.024	-0.907
F6	1.164	1.767	0.000
F7	1.164	-0.188	1.128
F8	1.164	-0.188	-1.128

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.6044	1.8273	1.1084	1.1084	2.4442	2.4714	2.4714
C2	1.6044		2.8263	2.2360	2.2360	1.3924	1.3888	1.3888
Cl3	1.8273	2.8263		2.4192	2.4192	4.0589	3.1602	3.1602
H4	1.1084	2.2360	2.4192		1.8133	2.7163	2.7426	3.4075
H5	1.1084	2.2360	2.4192	1.8133		2.7163	3.4075	2.7426
F6	2.4442	1.3924	4.0589	2.7163	2.7163		2.2565	2.2565
F7	2.4714	1.3888	3.1602	2.7426	3.4075	2.2565		2.2550
F8	2.4714	1.3888	3.1602	3.4075	2.7426	2.2565	2.2550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.088	C1	C2	F7	111.106
C1	C2	F8	111.106	C2	C1	Cl3	110.725
C2	C1	H4	109.665	C2	C1	H5	109.665
Cl3	C1	H4	108.499	Cl3	C1	H5	108.499
H4	C1	H5	109.764	F6	C2	F7	108.454
F6	C2	F8	108.454	F7	C2	F8	108.556

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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