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	hartrees
Energy at 0K	-836.833103
Energy at 298.15K	-836.826321
HF Energy	-837.139760
Nuclear repulsion energy	320.894825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3004	8.45
2	A'	1498	1438	15.33
3	A'	1374	1319	35.41
4	A'	1295	1244	166.43
5	A'	1186	1139	247.07
6	A'	857	823	17.35
7	A'	790	758	31.95
8	A'	632	607	25.82
9	A'	528	507	5.41
10	A'	352	338	0.27
11	A'	184	176	1.55
12	A"	3192	3066	0.75
13	A"	1334	1281	148.96
14	A"	1142	1097	101.46
15	A"	928	892	10.25
16	A"	525	504	1.40
17	A"	348	334	1.28
18	A"	97	93	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.855	0.494	0.000
C2	0.664	0.427	0.000
Cl3	-1.608	-1.133	0.000
H4	-1.184	1.028	0.893
H5	-1.184	1.028	-0.893
F6	1.143	1.691	0.000
F7	1.143	-0.197	1.088
F8	1.143	-0.197	-1.088

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5203	1.7927	1.0904	1.0904	2.3291	2.3777	2.3777
C2	1.5203		2.7553	2.1379	2.1379	1.3523	1.3425	1.3425
Cl3	1.7927	2.7553		2.3755	2.3755	3.9422	3.1023	3.1023
H4	1.0904	2.1379	2.3755		1.7852	2.5788	2.6365	3.2916
H5	1.0904	2.1379	2.3755	1.7852		2.5788	3.2916	2.6365
F6	2.3291	1.3523	3.9422	2.5788	2.5788		2.1795	2.1795
F7	2.3777	1.3425	3.1023	2.6365	3.2916	2.1795		2.1754
F8	2.3777	1.3425	3.1023	3.2916	2.6365	2.1795	2.1754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	107.956	C1	C2	F7	111.654
C1	C2	F8	111.654	C2	C1	Cl3	112.622
C2	C1	H4	108.698	C2	C1	H5	108.698
Cl3	C1	H4	108.610	Cl3	C1	H5	108.610
H4	C1	H5	109.571	F6	C2	F7	108.448
F6	C2	F8	108.448	F7	C2	F8	108.580

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

using model chemistry: G3B3

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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Number	Element	Mulliken
1	C	-0.470
2	C	0.818
3	Cl	-0.032
4	H	0.222
5	H	0.222
6	F	-0.265
7	F	-0.248
8	F	-0.248

	x	y	z	Total
	-0.994	1.539	0.000	1.832
CHELPG
AIM
ESP

<r²>	189.503
(<r²>)^1/2	13.766

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

using model chemistry: G3B3

States and conformations

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