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	hartrees
Energy at 0K	-835.682461
Energy at 298.15K	-835.686377
HF Energy	-834.724213
Nuclear repulsion energy	322.437892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	2997	6.39
2	A'	1517	1425	16.59
3	A'	1420	1333	47.47
4	A'	1316	1236	133.72
5	A'	1178	1106	284.82
6	A'	881	827	34.04
7	A'	825	774	14.44
8	A'	638	600	25.92
9	A'	531	499	5.33
10	A'	362	340	0.81
11	A'	190	178	1.58
12	A"	3271	3072	0.12
13	A"	1329	1248	124.38
14	A"	1155	1085	146.61
15	A"	948	890	19.78
16	A"	524	493	1.80
17	A"	358	336	1.30
18	A"	114	107	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.868	0.486	0.000
C2	0.639	0.429	0.000
Cl3	-1.571	-1.132	0.000
H4	-1.185	1.020	0.891
H5	-1.185	1.020	-0.891
F6	1.128	1.696	0.000
F7	1.128	-0.198	1.090
F8	1.128	-0.198	-1.090

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5081	1.7643	1.0854	1.0854	2.3344	2.3752	2.3752
C2	1.5081		2.7057	2.1139	2.1139	1.3584	1.3495	1.3495
Cl3	1.7643	2.7057		2.3605	2.3605	3.9097	3.0573	3.0573
H4	1.0854	2.1139	2.3605		1.7810	2.5694	2.6216	3.2797
H5	1.0854	2.1139	2.3605	1.7810		2.5694	3.2797	2.6216
F6	2.3344	1.3584	3.9097	2.5694	2.5694		2.1854	2.1854
F7	2.3752	1.3495	3.0573	2.6216	3.2797	2.1854		2.1808
F8	2.3752	1.3495	3.0573	3.2797	2.6216	2.1854	2.1808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.942	C1	C2	F7	112.324
C1	C2	F8	112.324	C2	C1	Cl3	111.310
C2	C1	H4	108.085	C2	C1	H5	108.085
Cl3	C1	H4	109.540	Cl3	C1	H5	109.540
H4	C1	H5	110.259	F6	C2	F7	107.619
F6	C2	F8	107.619	F7	C2	F8	107.804

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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