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	hartrees
Energy at 0K	-831.262710
Energy at 298.15K	-831.266519
HF Energy	-830.596677
Nuclear repulsion energy	318.587220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3025	4.33
2	A'	1569	1493	13.44
3	A'	1416	1347	6.50
4	A'	1312	1249	198.87
5	A'	1241	1181	197.81
6	A'	848	807	14.88
7	A'	792	754	17.81
8	A'	620	590	30.51
9	A'	519	494	11.28
10	A'	351	334	1.05
11	A'	183	174	2.24
12	A"	3245	3087	0.08
13	A"	1411	1342	113.36
14	A"	1188	1130	93.80
15	A"	968	921	4.05
16	A"	513	488	5.04
17	A"	339	323	0.97
18	A"	96	91	3.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.865	0.497	0.000
C2	0.647	0.435	0.000
Cl3	-1.579	-1.146	0.000
H4	-1.194	1.023	0.893
H5	-1.194	1.023	-0.893
F6	1.131	1.728	0.000
F7	1.131	-0.206	1.113
F8	1.131	-0.206	-1.113

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5131	1.7915	1.0876	1.0876	2.3451	2.3913	2.3913
C2	1.5131		2.7296	2.1292	2.1292	1.3808	1.3724	1.3724
Cl3	1.7915	2.7296		2.3773	2.3773	3.9499	3.0764	3.0764
H4	1.0876	2.1292	2.3773		1.7865	2.5888	2.6396	3.3080
H5	1.0876	2.1292	2.3773	1.7865		2.5888	3.3080	2.6396
F6	2.3451	1.3808	3.9499	2.5888	2.5888		2.2311	2.2311
F7	2.3913	1.3724	3.0764	2.6396	3.3080	2.2311		2.2255
F8	2.3913	1.3724	3.0764	3.3080	2.6396	2.2311	2.2255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.176	C1	C2	F7	111.840
C1	C2	F8	111.840	C2	C1	Cl3	111.098
C2	C1	H4	108.804	C2	C1	H5	108.804
Cl3	C1	H4	108.855	Cl3	C1	H5	108.855
H4	C1	H5	110.426	F6	C2	F7	108.261
F6	C2	F8	108.261	F7	C2	F8	108.344

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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