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	hartrees
Energy at 0K	-836.309587
Energy at 298.15K	-836.302975
HF Energy	-834.699465
Nuclear repulsion energy	325.782311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3288	11.47
2	A'	1613	1613	30.49
3	A'	1512	1512	76.74
4	A'	1422	1422	192.85
5	A'	1320	1320	310.51
6	A'	936	936	25.40
7	A'	866	866	40.08
8	A'	697	697	37.59
9	A'	587	587	10.10
10	A'	387	387	0.37
11	A'	201	201	2.20
12	A"	3359	3359	0.93
13	A"	1463	1463	225.42
14	A"	1252	1252	99.88
15	A"	1008	1008	9.70
16	A"	586	586	3.73
17	A"	379	379	1.07
18	A"	108	108	4.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.853	0.489	0.000
C2	0.660	0.424	0.000
Cl3	-1.592	-1.122	0.000
H4	-1.177	1.018	0.885
H5	-1.177	1.018	-0.885
F6	1.133	1.658	0.000
F7	1.133	-0.186	1.063
F8	1.133	-0.186	-1.063

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5136	1.7727	1.0812	1.0812	2.3038	2.3509	2.3509
C2	1.5136		2.7313	2.1238	2.1238	1.3215	1.3138	1.3138
Cl3	1.7727	2.7313		2.3529	2.3529	3.8926	3.0711	3.0711
H4	1.0812	2.1238	2.3529		1.7703	2.5550	2.6107	3.2528
H5	1.0812	2.1238	2.3529	1.7703		2.5550	3.2528	2.6107
F6	2.3038	1.3215	3.8926	2.5550	2.5550		2.1282	2.1282
F7	2.3509	1.3138	3.0711	2.6107	3.2528	2.1282		2.1267
F8	2.3509	1.3138	3.0711	3.2528	2.6107	2.1282	2.1267

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.509	C1	C2	F7	112.312
C1	C2	F8	112.312	C2	C1	Cl3	112.192
C2	C1	H4	108.724	C2	C1	H5	108.724
Cl3	C1	H4	108.637	Cl3	C1	H5	108.637
H4	C1	H5	109.912	F6	C2	F7	107.718
F6	C2	F8	107.718	F7	C2	F8	108.075

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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