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	hartrees
Energy at 0K	-831.010301
Energy at 298.15K	-831.014169
HF Energy	-830.491280
Nuclear repulsion energy	317.991760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3035	3.39
2	A'	1582	1474	19.16
3	A'	1420	1323	19.43
4	A'	1367	1274	207.49
5	A'	1284	1196	199.78
6	A'	872	812	8.78
7	A'	772	719	26.18
8	A'	635	591	38.49
9	A'	533	496	13.63
10	A'	352	328	1.05
11	A'	184	171	2.50
12	A"	3330	3102	0.81
13	A"	1451	1351	153.55
14	A"	1196	1114	74.35
15	A"	955	890	0.67
16	A"	530	494	6.24
17	A"	351	327	1.14
18	A"	95	88	4.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.856	0.520	0.000
C2	0.646	0.458	0.000
Cl3	-1.577	-1.200	0.000
H4	-1.206	1.016	0.895
H5	-1.206	1.016	-0.895
F6	1.129	1.738	0.000
F7	1.129	-0.174	1.102
F8	1.129	-0.174	-1.102

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5038	1.8652	1.0809	1.0809	2.3288	2.3742	2.3742
C2	1.5038		2.7734	2.1311	2.1311	1.3675	1.3591	1.3591
Cl3	1.8652	2.7734		2.4187	2.4187	3.9940	3.0960	3.0960
H4	1.0809	2.1311	2.4187		1.7891	2.6023	2.6288	3.2944
H5	1.0809	2.1311	2.4187	1.7891		2.6023	3.2944	2.6288
F6	2.3288	1.3675	3.9940	2.6023	2.6023		2.2070	2.2070
F7	2.3742	1.3591	3.0960	2.6288	3.2944	2.2070		2.2035
F8	2.3742	1.3591	3.0960	3.2944	2.6288	2.2070	2.2035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.306	C1	C2	F7	111.958
C1	C2	F8	111.958	C2	C1	Cl3	110.357
C2	C1	H4	109.999	C2	C1	H5	109.999
Cl3	C1	H4	107.353	Cl3	C1	H5	107.353
H4	C1	H5	111.713	F6	C2	F7	108.078
F6	C2	F8	108.078	F7	C2	F8	108.320

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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