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	hartrees
Energy at 0K	-835.993638
Energy at 298.15K	-835.997607
HF Energy	-834.832501
Nuclear repulsion energy	323.523738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	2989	8.99
2	A'	1505	1425	23.54
3	A'	1422	1347	61.17
4	A'	1328	1258	158.76
5	A'	1206	1142	271.31
6	A'	892	844	31.53
7	A'	831	787	18.06
8	A'	655	620	26.25
9	A'	548	519	5.92
10	A'	368	349	0.62
11	A'	193	183	1.66
12	A"	3231	3060	0.16
13	A"	1355	1283	141.04
14	A"	1175	1113	141.58
15	A"	946	896	12.37
16	A"	545	516	1.92
17	A"	361	342	1.07
18	A"	109	103	3.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.856	0.487	0.000
C2	0.653	0.422	0.000
Cl3	-1.587	-1.121	0.000
H4	-1.175	1.023	0.892
H5	-1.175	1.023	-0.892
F6	1.132	1.679	0.000
F7	1.132	-0.198	1.081
F8	1.132	-0.198	-1.081

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5103	1.7661	1.0884	1.0884	2.3177	2.3641	2.3641
C2	1.5103		2.7201	2.1208	2.1208	1.3448	1.3353	1.3353
Cl3	1.7661	2.7201		2.3577	2.3577	3.9026	3.0681	3.0681
H4	1.0884	2.1208	2.3577		1.7844	2.5588	2.6165	3.2718
H5	1.0884	2.1208	2.3577	1.7844		2.5588	3.2718	2.6165
F6	2.3177	1.3448	3.9026	2.5588	2.5588		2.1661	2.1661
F7	2.3641	1.3353	3.0681	2.6165	3.2718	2.1661		2.1626
F8	2.3641	1.3353	3.0681	3.2718	2.6165	2.1661	2.1626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.395	C1	C2	F7	112.215
C1	C2	F8	112.215	C2	C1	Cl3	112.005
C2	C1	H4	108.294	C2	C1	H5	108.294
Cl3	C1	H4	109.059	Cl3	C1	H5	109.059
H4	C1	H5	110.119	F6	C2	F7	107.844
F6	C2	F8	107.844	F7	C2	F8	108.152

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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