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	hartrees
Energy at 0K	-835.736605
Energy at 298.15K	-835.740544
HF Energy	-834.750220
Nuclear repulsion energy	322.386686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3005	8.44
2	A'	1478	1414	33.76
3	A'	1401	1341	106.92
4	A'	1327	1270	139.47
5	A'	1228	1175	236.54
6	A'	887	849	23.19
7	A'	824	788	19.10
8	A'	654	626	28.41
9	A'	549	525	7.02
10	A'	364	348	0.54
11	A'	188	180	1.62
12	A"	3213	3074	0.72
13	A"	1359	1300	203.00
14	A"	1153	1103	76.92
15	A"	928	888	7.12
16	A"	546	522	2.90
17	A"	354	339	0.80
18	A"	100	96	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	-0.862	0.490	0.000
C2	0.657	0.429	0.000
Cl3	-1.591	-1.134	0.000
H4	-1.189	1.031	0.900
H5	-1.189	1.031	-0.900
F6	1.135	1.685	0.000
F7	1.135	-0.192	1.082
F8	1.135	-0.192	-1.082

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5200	1.7799	1.0998	1.0998	2.3274	2.3716	2.3716
C2	1.5200		2.7375	2.1396	2.1396	1.3442	1.3361	1.3361
Cl3	1.7799	2.7375		2.3788	2.3788	3.9214	3.0803	3.0803
H4	1.0998	2.1396	2.3788		1.8000	2.5763	2.6323	3.2900
H5	1.0998	2.1396	2.3788	1.8000		2.5763	3.2900	2.6323
F6	2.3274	1.3442	3.9214	2.5763	2.5763		2.1667	2.1667
F7	2.3716	1.3361	3.0803	2.6323	3.2900	2.1667		2.1639
F8	2.3716	1.3361	3.0803	3.2900	2.6323	2.1667	2.1639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.545	C1	C2	F7	112.112
C1	C2	F8	112.112	C2	C1	Cl3	111.866
C2	C1	H4	108.451	C2	C1	H5	108.451
Cl3	C1	H4	109.105	Cl3	C1	H5	109.105
H4	C1	H5	109.846	F6	C2	F7	107.876
F6	C2	F8	107.876	F7	C2	F8	108.151

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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