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	hartrees
Energy at 0K	-98.851855
Energy at 298.15K	-98.855413
HF Energy	-98.283962
Nuclear repulsion energy	141.623365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3011	5.86
2	A'	1482	1447	12.41
3	A'	1377	1344	7.09
4	A'	1255	1225	157.96
5	A'	1045	1020	227.36
6	A'	786	767	40.70
7	A'	732	714	15.91
8	A'	567	553	31.72
9	A'	468	457	7.94
10	A'	323	316	1.43
11	A'	175	171	2.66
12	A"	3186	3110	0.19
13	A"	1279	1249	61.59
14	A"	1063	1038	144.77
15	A"	894	872	51.34
16	A"	466	455	2.74
17	A"	322	314	1.35
18	A"	93	91	4.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.888	0.519	0.000
C2	0.647	0.448	0.000
Cl3	-1.643	-1.189	0.000
H4	-1.214	1.035	0.909
H5	-1.214	1.035	-0.909
F6	1.178	1.776	0.000
F7	1.178	-0.202	1.141
F8	1.178	-0.202	-1.141

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5370	1.8676	1.0948	1.0948	2.4179	2.4678	2.4678
C2	1.5370		2.8155	2.1531	2.1531	1.4291	1.4166	1.4166
Cl3	1.8676	2.8155		2.4403	2.4403	4.0921	3.1988	3.1988
H4	1.0948	2.1531	2.4403		1.8179	2.6640	2.7031	3.3845
H5	1.0948	2.1531	2.4403	1.8179		2.6640	3.3845	2.7031
F6	2.4179	1.4291	4.0921	2.6640	2.6640		2.2833	2.2833
F7	2.4678	1.4166	3.1988	2.7031	3.3845	2.2833		2.2819
F8	2.4678	1.4166	3.1988	3.3845	2.7031	2.2833	2.2819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.153	C1	C2	F7	113.278
C1	C2	F8	113.278	C2	C1	Cl3	111.211
C2	C1	H4	108.627	C2	C1	H5	108.627
Cl3	C1	H4	108.078	Cl3	C1	H5	108.078
H4	C1	H5	112.247	F6	C2	F7	106.716
F6	C2	F8	106.716	F7	C2	F8	107.301

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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