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	hartrees
Energy at 0K	-835.621556
Energy at 298.15K	-835.625511
HF Energy	-834.709038
Nuclear repulsion energy	323.001711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	2984	6.52
2	A'	1532	1438	23.02
3	A'	1442	1354	71.34
4	A'	1360	1277	140.15
5	A'	1254	1177	235.65
6	A'	898	843	23.93
7	A'	838	786	18.23
8	A'	655	614	28.53
9	A'	545	512	7.13
10	A'	367	345	0.64
11	A'	192	180	1.67
12	A"	3246	3047	0.19
13	A"	1392	1306	169.08
14	A"	1190	1117	83.71
15	A"	963	904	8.24
16	A"	539	506	2.44
17	A"	360	338	1.31
18	A"	109	103	3.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.488	0.000
C2	0.649	0.428	0.000
Cl3	-1.581	-1.130	0.000
H4	-1.183	1.024	0.892
H5	-1.183	1.024	-0.892
F6	1.130	1.686	0.000
F7	1.130	-0.195	1.084
F8	1.130	-0.195	-1.084

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5114	1.7713	1.0896	1.0896	2.3238	2.3676	2.3676
C2	1.5114		2.7203	2.1232	2.1232	1.3472	1.3393	1.3393
Cl3	1.7713	2.7203		2.3659	2.3659	3.9091	3.0654	3.0654
H4	1.0896	2.1232	2.3659		1.7847	2.5659	2.6214	3.2773
H5	1.0896	2.1232	2.3659	1.7847		2.5659	3.2773	2.6214
F6	2.3238	1.3472	3.9091	2.5659	2.5659		2.1711	2.1711
F7	2.3676	1.3393	3.0654	2.6214	3.2773	2.1711		2.1679
F8	2.3676	1.3393	3.0654	3.2773	2.6214	2.1711	2.1679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.627	C1	C2	F7	112.160
C1	C2	F8	112.160	C2	C1	Cl3	111.680
C2	C1	H4	108.340	C2	C1	H5	108.340
Cl3	C1	H4	109.250	Cl3	C1	H5	109.250
H4	C1	H5	109.962	F6	C2	F7	107.829
F6	C2	F8	107.829	F7	C2	F8	108.059

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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