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	hartrees
Energy at 0K	-835.701386
Energy at 298.15K	-835.705478
HF Energy	-834.834185
Nuclear repulsion energy	325.612831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3013	10.45
2	A'	1560	1450	31.19
3	A'	1482	1377	72.64
4	A'	1389	1291	168.10
5	A'	1281	1190	290.78
6	A'	926	861	28.21
7	A'	860	799	26.90
8	A'	682	634	32.11
9	A'	572	531	8.28
10	A'	381	354	0.52
11	A'	198	184	1.91
12	A"	3312	3077	0.69
13	A"	1421	1320	189.14
14	A"	1227	1140	120.04
15	A"	981	912	8.62
16	A"	569	529	3.01
17	A"	372	346	1.09
18	A"	109	101	3.66

Atom	x (Å)	y (Å)	z (Å)
C1	-0.850	0.486	0.000
C2	0.656	0.421	0.000
Cl3	-1.587	-1.116	0.000
H4	-1.170	1.018	0.886
H5	-1.170	1.018	-0.886
F6	1.129	1.662	0.000
F7	1.129	-0.192	1.069
F8	1.129	-0.192	-1.069

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5075	1.7633	1.0811	1.0811	2.3028	2.3501	2.3501
C2	1.5075		2.7189	2.1148	2.1148	1.3285	1.3202	1.3202
Cl3	1.7633	2.7189		2.3475	2.3475	3.8856	3.0622	3.0622
H4	1.0811	2.1148	2.3475		1.7710	2.5467	2.6045	3.2512
H5	1.0811	2.1148	2.3475	1.7710		2.5467	3.2512	2.6045
F6	2.3028	1.3285	3.8856	2.5467	2.5467		2.1402	2.1402
F7	2.3501	1.3202	3.0622	2.6045	3.2512	2.1402		2.1381
F8	2.3501	1.3202	3.0622	3.2512	2.6045	2.1402	2.1381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.415	C1	C2	F7	112.249
C1	C2	F8	112.249	C2	C1	Cl3	112.221
C2	C1	H4	108.443	C2	C1	H5	108.443
Cl3	C1	H4	108.866	Cl3	C1	H5	108.866
H4	C1	H5	109.988	F6	C2	F7	107.800
F6	C2	F8	107.800	F7	C2	F8	108.142

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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