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	hartrees
Energy at 0K	-835.894401
Energy at 298.15K	-835.898368
HF Energy	-834.835844
Nuclear repulsion energy	323.066113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	2993	10.02
2	A'	1490	1421	21.22
3	A'	1418	1353	62.52
4	A'	1331	1270	155.92
5	A'	1223	1167	268.17
6	A'	886	845	26.25
7	A'	826	788	20.51
8	A'	654	624	27.76
9	A'	548	523	6.76
10	A'	366	349	0.52
11	A'	192	183	1.67
12	A"	3204	3057	1.12
13	A"	1355	1293	165.22
14	A"	1174	1120	111.20
15	A"	943	900	10.72
16	A"	545	520	2.58
17	A"	357	341	0.79
18	A"	106	101	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.859	0.488	0.000
C2	0.657	0.425	0.000
Cl3	-1.593	-1.125	0.000
H4	-1.176	1.024	0.895
H5	-1.176	1.024	-0.895
F6	1.135	1.679	0.000
F7	1.135	-0.195	1.080
F8	1.135	-0.195	-1.080

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5169	1.7729	1.0900	1.0900	2.3222	2.3681	2.3681
C2	1.5169		2.7322	2.1260	2.1260	1.3425	1.3340	1.3340
Cl3	1.7729	2.7322		2.3650	2.3650	3.9125	3.0779	3.0779
H4	1.0900	2.1260	2.3650		1.7892	2.5634	2.6193	3.2752
H5	1.0900	2.1260	2.3650	1.7892		2.5634	3.2752	2.6193
F6	2.3222	1.3425	3.9125	2.5634	2.5634		2.1634	2.1634
F7	2.3681	1.3340	3.0779	2.6193	3.2752	2.1634		2.1609
F8	2.3681	1.3340	3.0779	3.2752	2.6193	2.1634	2.1609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.452	C1	C2	F7	112.165
C1	C2	F8	112.165	C2	C1	Cl3	112.069
C2	C1	H4	108.161	C2	C1	H5	108.161
Cl3	C1	H4	109.063	Cl3	C1	H5	109.063
H4	C1	H5	110.316	F6	C2	F7	107.856
F6	C2	F8	107.856	F7	C2	F8	108.174

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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