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	hartrees
Energy at 0K	-835.894212
Energy at 298.15K	-835.898136
HF Energy	-834.737345
Nuclear repulsion energy	324.924871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	2989	6.18
2	A'	1491	1408	22.67
3	A'	1388	1311	89.90
4	A'	1314	1241	101.60
5	A'	1217	1149	216.10
6	A'	889	840	19.42
7	A'	831	784	19.60
8	A'	652	616	23.70
9	A'	548	517	5.06
10	A'	363	343	0.45
11	A'	186	176	1.22
12	A"	3242	3062	0.12
13	A"	1348	1274	156.07
14	A"	1152	1088	71.15
15	A"	935	883	5.75
16	A"	541	511	1.68
17	A"	354	334	1.12
18	A"	102	96	2.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.866	0.487	0.000
C2	0.646	0.433	0.000
Cl3	-1.555	-1.139	0.000
H4	-1.197	1.014	0.892
H5	-1.197	1.014	-0.892
F6	1.117	1.684	0.000
F7	1.117	-0.186	1.077
F8	1.117	-0.186	-1.077

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5129	1.7668	1.0880	1.0880	2.3164	2.3549	2.3549
C2	1.5129		2.7051	2.1287	2.1287	1.3370	1.3283	1.3283
Cl3	1.7668	2.7051		2.3585	2.3585	3.8878	3.0349	3.0349
H4	1.0880	2.1287	2.3585		1.7850	2.5694	2.6135	3.2671
H5	1.0880	2.1287	2.3585	1.7850		2.5694	3.2671	2.6135
F6	2.3164	1.3370	3.8878	2.5694	2.5694		2.1579	2.1579
F7	2.3549	1.3283	3.0349	2.6135	3.2671	2.1579		2.1534
F8	2.3549	1.3283	3.0349	3.2671	2.6135	2.1579	2.1534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.581	C1	C2	F7	111.798
C1	C2	F8	111.798	C2	C1	Cl3	110.904
C2	C1	H4	108.761	C2	C1	H5	108.761
Cl3	C1	H4	109.090	Cl3	C1	H5	109.090
H4	C1	H5	110.228	F6	C2	F7	108.116
F6	C2	F8	108.116	F7	C2	F8	108.303

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

using model chemistry: MP2/6-31G(2df,p)

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(2df,p)

States and conformations

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