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	hartrees
Energy at 0K	-836.923144
Energy at 298.15K	-836.916431
HF Energy	-837.165158
Nuclear repulsion energy	322.410455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	2998	7.71
2	A'	1466	1414	15.17
3	A'	1341	1294	52.64
4	A'	1276	1232	134.22
5	A'	1173	1132	230.07
6	A'	858	828	12.47
7	A'	790	763	30.90
8	A'	637	615	24.02
9	A'	536	517	4.60
10	A'	352	339	0.25
11	A'	181	174	1.24
12	A"	3174	3063	0.31
13	A"	1309	1263	144.53
14	A"	1118	1079	80.74
15	A"	914	882	8.01
16	A"	532	514	1.28
17	A"	347	335	1.14
18	A"	89	86	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.862	0.493	0.000
C2	0.659	0.431	0.000
Cl3	-1.590	-1.139	0.000
H4	-1.194	1.021	0.893
H5	-1.194	1.021	-0.893
F6	1.135	1.687	0.000
F7	1.135	-0.190	1.081
F8	1.135	-0.190	-1.081

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5221	1.7872	1.0894	1.0894	2.3260	2.3704	2.3704
C2	1.5221		2.7428	2.1406	2.1406	1.3434	1.3336	1.3336
Cl3	1.7872	2.7428		2.3699	2.3699	3.9256	3.0812	3.0812
H4	1.0894	2.1406	2.3699		1.7866	2.5821	2.6314	3.2842
H5	1.0894	2.1406	2.3699	1.7866		2.5821	3.2842	2.6314
F6	2.3260	1.3434	3.9256	2.5821	2.5821		2.1656	2.1656
F7	2.3704	1.3336	3.0812	2.6314	3.2842	2.1656		2.1614
F8	2.3704	1.3336	3.0812	3.2842	2.6314	2.1656	2.1614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.112	C1	C2	F7	111.693
C1	C2	F8	111.693	C2	C1	Cl3	112.044
C2	C1	H4	108.867	C2	C1	H5	108.867
Cl3	C1	H4	108.590	Cl3	C1	H5	108.590
H4	C1	H5	109.867	F6	C2	F7	108.387
F6	C2	F8	108.387	F7	C2	F8	108.464

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

using model chemistry: G4

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	-0.296
2	C	0.288
3	Cl	-0.135
4	H	0.177
5	H	0.177
6	F	-0.080
7	F	-0.066
8	F	-0.066

	x	y	z	Total
	-0.986	1.462	0.000	1.763
CHELPG
AIM
ESP

<r²>	187.799
(<r²>)^1/2	13.704

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

using model chemistry: G4

States and conformations

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