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	hartrees
Energy at 0K	-835.643069
Energy at 298.15K	-835.647032
HF Energy	-834.712208
Nuclear repulsion energy	322.873290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	2992	8.34
2	A'	1534	1439	20.35
3	A'	1440	1350	62.39
4	A'	1357	1272	143.63
5	A'	1254	1175	239.45
6	A'	897	841	23.69
7	A'	836	784	16.84
8	A'	653	612	27.84
9	A'	544	510	6.95
10	A'	366	343	0.62
11	A'	191	179	1.65
12	A"	3262	3059	0.90
13	A"	1388	1302	165.18
14	A"	1190	1116	84.44
15	A"	961	901	8.92
16	A"	538	505	2.56
17	A"	359	337	1.10
18	A"	108	102	3.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.487	0.000
C2	0.650	0.428	0.000
Cl3	-1.582	-1.130	0.000
H4	-1.181	1.022	0.889
H5	-1.181	1.022	-0.889
F6	1.131	1.688	0.000
F7	1.131	-0.195	1.085
F8	1.131	-0.195	-1.085

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5122	1.7700	1.0857	1.0857	2.3255	2.3682	2.3682
C2	1.5122		2.7224	2.1204	2.1204	1.3480	1.3405	1.3405
Cl3	1.7700	2.7224		2.3620	2.3620	3.9111	3.0676	3.0676
H4	1.0857	2.1204	2.3620		1.7777	2.5646	2.6198	3.2743
H5	1.0857	2.1204	2.3620	1.7777		2.5646	3.2743	2.6198
F6	2.3255	1.3480	3.9111	2.5646	2.5646		2.1734	2.1734
F7	2.3682	1.3405	3.0676	2.6198	3.2743	2.1734		2.1703
F8	2.3682	1.3405	3.0676	3.2743	2.6198	2.1734	2.1703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.655	C1	C2	F7	112.086
C1	C2	F8	112.086	C2	C1	Cl3	111.842
C2	C1	H4	108.286	C2	C1	H5	108.286
Cl3	C1	H4	109.254	Cl3	C1	H5	109.254
H4	C1	H5	109.897	F6	C2	F7	107.877
F6	C2	F8	107.877	F7	C2	F8	108.094

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)