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	hartrees
Energy at 0K	-835.710689
Energy at 298.15K	-835.714599
HF Energy	-834.749595
Nuclear repulsion energy	322.149981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3002	8.20
2	A'	1470	1400	30.29
3	A'	1386	1320	108.86
4	A'	1304	1242	121.77
5	A'	1199	1142	253.16
6	A'	881	839	29.18
7	A'	821	782	17.35
8	A'	648	617	26.17
9	A'	543	517	5.95
10	A'	362	345	0.55
11	A'	187	178	1.57
12	A"	3230	3077	0.19
13	A"	1332	1269	182.58
14	A"	1142	1088	97.14
15	A"	922	878	9.64
16	A"	538	513	2.27
17	A"	352	335	0.85
18	A"	101	96	2.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.489	0.000
C2	0.654	0.427	0.000
Cl3	-1.589	-1.130	0.000
H4	-1.187	1.030	0.899
H5	-1.187	1.030	-0.899
F6	1.134	1.689	0.000
F7	1.134	-0.197	1.086
F8	1.134	-0.197	-1.086

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5169	1.7754	1.0987	1.0987	2.3280	2.3731	2.3731
C2	1.5169		2.7304	2.1360	2.1360	1.3500	1.3409	1.3409
Cl3	1.7754	2.7304		2.3744	2.3744	3.9191	3.0764	3.0764
H4	1.0987	2.1360	2.3744		1.7982	2.5746	2.6320	3.2913
H5	1.0987	2.1360	2.3744	1.7982		2.5746	3.2913	2.6320
F6	2.3280	1.3500	3.9191	2.5746	2.5746		2.1756	2.1756
F7	2.3731	1.3409	3.0764	2.6320	3.2913	2.1756		2.1717
F8	2.3731	1.3409	3.0764	3.2913	2.6320	2.1756	2.1717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.452	C1	C2	F7	112.133
C1	C2	F8	112.133	C2	C1	Cl3	111.820
C2	C1	H4	108.445	C2	C1	H5	108.445
Cl3	C1	H4	109.135	Cl3	C1	H5	109.135
H4	C1	H5	109.841	F6	C2	F7	107.899
F6	C2	F8	107.899	F7	C2	F8	108.157

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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