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	hartrees
Energy at 0K	-835.879109
Energy at 298.15K	-835.883066
HF Energy	-834.832565
Nuclear repulsion energy	322.978992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	2989	10.13
2	A'	1501	1437	23.85
3	A'	1421	1361	61.35
4	A'	1334	1277	155.91
5	A'	1222	1170	265.67
6	A'	885	847	26.69
7	A'	824	789	21.61
8	A'	654	626	28.19
9	A'	548	525	6.73
10	A'	366	350	0.53
11	A'	192	184	1.72
12	A"	3189	3053	1.05
13	A"	1362	1304	160.50
14	A"	1177	1127	119.22
15	A"	945	905	10.06
16	A"	546	523	2.40
17	A"	359	344	0.98
18	A"	106	102	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.858	0.489	0.000
C2	0.657	0.424	0.000
Cl3	-1.594	-1.125	0.000
H4	-1.179	1.025	0.895
H5	-1.179	1.025	-0.895
F6	1.136	1.679	0.000
F7	1.136	-0.195	1.080
F8	1.136	-0.195	-1.080

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5158	1.7747	1.0911	1.0911	2.3213	2.3683	2.3683
C2	1.5158		2.7325	2.1285	2.1285	1.3431	1.3343	1.3343
Cl3	1.7747	2.7325		2.3660	2.3660	3.9135	3.0792	3.0792
H4	1.0911	2.1285	2.3660		1.7890	2.5660	2.6230	3.2781
H5	1.0911	2.1285	2.3660	1.7890		2.5660	3.2781	2.6230
F6	2.3213	1.3431	3.9135	2.5660	2.5660		2.1634	2.1634
F7	2.3683	1.3343	3.0792	2.6230	3.2781	2.1634		2.1607
F8	2.3683	1.3343	3.0792	3.2781	2.6230	2.1634	2.1607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.427	C1	C2	F7	112.238
C1	C2	F8	112.238	C2	C1	Cl3	112.045
C2	C1	H4	108.371	C2	C1	H5	108.371
Cl3	C1	H4	108.953	Cl3	C1	H5	108.953
H4	C1	H5	110.140	F6	C2	F7	107.811
F6	C2	F8	107.811	F7	C2	F8	108.133

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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