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	hartrees
Energy at 0K	-835.160671
Energy at 298.15K	-835.164375
HF Energy	-834.555047
Nuclear repulsion energy	312.562447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3009	3.02
2	A'	1525	1463	14.22
3	A'	1385	1329	17.37
4	A'	1312	1259	163.73
5	A'	1187	1139	196.09
6	A'	828	795	21.03
7	A'	749	719	16.70
8	A'	601	577	37.20
9	A'	494	474	10.89
10	A'	336	323	1.13
11	A'	180	172	2.46
12	A"	3211	3081	0.01
13	A"	1350	1295	114.30
14	A"	1134	1088	98.96
15	A"	933	895	7.43
16	A"	495	475	4.66
17	A"	342	328	1.75
18	A"	97	94	4.68

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.517	0.000
C2	0.654	0.450	0.000
Cl3	-1.629	-1.186	0.000
H4	-1.201	1.032	0.902
H5	-1.201	1.032	-0.902
F6	1.161	1.755	0.000
F7	1.161	-0.195	1.125
F8	1.161	-0.195	-1.125

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5155	1.8677	1.0931	1.0931	2.3706	2.4201	2.4201
C2	1.5155		2.8083	2.1426	2.1426	1.4003	1.3920	1.3920
Cl3	1.8677	2.8083		2.4324	2.4324	4.0537	3.1673	3.1673
H4	1.0931	2.1426	2.4324		1.8034	2.6291	2.6707	3.3450
H5	1.0931	2.1426	2.4324	1.8034		2.6291	3.3450	2.6707
F6	2.3706	1.4003	4.0537	2.6291	2.6291		2.2508	2.2508
F7	2.4201	1.3920	3.1673	2.6707	3.3450	2.2508		2.2494
F8	2.4201	1.3920	3.1673	3.3450	2.6707	2.2508	2.2494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.720	C1	C2	F7	112.612
C1	C2	F8	112.612	C2	C1	Cl3	111.785
C2	C1	H4	109.369	C2	C1	H5	109.369
Cl3	C1	H4	107.579	Cl3	C1	H5	107.579
H4	C1	H5	111.154	F6	C2	F7	107.430
F6	C2	F8	107.430	F7	C2	F8	107.790

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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