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	hartrees
Energy at 0K	-835.477742
Energy at 298.15K	-835.481791
HF Energy	-834.710336
Nuclear repulsion energy	324.752245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3008	7.91
2	A'	1575	1455	27.55
3	A'	1486	1373	70.62
4	A'	1398	1291	149.53
5	A'	1292	1193	257.23
6	A'	925	854	27.33
7	A'	861	795	22.80
8	A'	674	622	30.95
9	A'	561	518	7.97
10	A'	378	349	0.56
11	A'	197	182	1.82
12	A"	3325	3072	0.19
13	A"	1431	1322	184.77
14	A"	1227	1133	89.01
15	A"	989	913	8.47
16	A"	556	514	2.79
17	A"	369	341	1.29
18	A"	111	102	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.855	0.485	0.000
C2	0.650	0.424	0.000
Cl3	-1.579	-1.122	0.000
H4	-1.176	1.019	0.886
H5	-1.176	1.019	-0.886
F6	1.127	1.673	0.000
F7	1.127	-0.193	1.076
F8	1.127	-0.193	-1.076

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5064	1.7633	1.0828	1.0828	2.3107	2.3552	2.3552
C2	1.5064		2.7135	2.1150	2.1150	1.3369	1.3292	1.3292
Cl3	1.7633	2.7135		2.3518	2.3518	3.8910	3.0570	3.0570
H4	1.0828	2.1150	2.3518		1.7722	2.5529	2.6094	3.2593
H5	1.0828	2.1150	2.3518	1.7722		2.5529	3.2593	2.6094
F6	2.3107	1.3369	3.8910	2.5529	2.5529		2.1547	2.1547
F7	2.3552	1.3292	3.0570	2.6094	3.2593	2.1547		2.1520
F8	2.3552	1.3292	3.0570	3.2593	2.6094	2.1547	2.1520

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.569	C1	C2	F7	112.164
C1	C2	F8	112.164	C2	C1	Cl3	111.935
C2	C1	H4	108.430	C2	C1	H5	108.430
Cl3	C1	H4	109.096	Cl3	C1	H5	109.096
H4	C1	H5	109.835	F6	C2	F7	107.837
F6	C2	F8	107.837	F7	C2	F8	108.095

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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