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	hartrees
Energy at 0K	-834.724244
Energy at 298.15K	-834.728385
HF Energy	-834.724244
Nuclear repulsion energy	325.280570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	2832	9.73
2	A'	1622	1388	24.43
3	A'	1520	1301	56.28
4	A'	1419	1214	168.94
5	A'	1311	1122	319.79
6	A'	934	800	28.73
7	A'	865	740	37.46
8	A'	692	592	36.53
9	A'	578	495	9.00
10	A'	386	330	0.38
11	A'	200	171	2.00
12	A"	3376	2890	0.17
13	A"	1452	1242	201.54
14	A"	1255	1074	111.12
15	A"	1011	866	11.42
16	A"	578	495	3.19
17	A"	380	325	1.34
18	A"	110	94	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.852	0.489	0.000
C2	0.658	0.421	0.000
Cl3	-1.596	-1.118	0.000
H4	-1.173	1.017	0.883
H5	-1.173	1.017	-0.883
F6	1.135	1.659	0.000
F7	1.135	-0.190	1.067
F8	1.135	-0.190	-1.067

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5121	1.7707	1.0778	1.0778	2.3060	2.3549	2.3549
C2	1.5121		2.7297	2.1185	2.1185	1.3264	1.3182	1.3182
Cl3	1.7707	2.7297		2.3490	2.3490	3.8948	3.0750	3.0750
H4	1.0778	2.1185	2.3490		1.7663	2.5528	2.6103	3.2529
H5	1.0778	2.1185	2.3490	1.7663		2.5528	3.2529	2.6103
F6	2.3060	1.3264	3.8948	2.5528	2.5528		2.1343	2.1343
F7	2.3549	1.3182	3.0750	2.6103	3.2529	2.1343		2.1333
F8	2.3549	1.3182	3.0750	3.2529	2.6103	2.1343	2.1333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.489	C1	C2	F7	112.437
C1	C2	F8	112.437	C2	C1	Cl3	112.267
C2	C1	H4	108.601	C2	C1	H5	108.601
Cl3	C1	H4	108.654	Cl3	C1	H5	108.654
H4	C1	H5	110.052	F6	C2	F7	107.616
F6	C2	F8	107.616	F7	C2	F8	108.031

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

using model chemistry: ROHF/6-31+G**

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	-0.586
2	C	1.153
3	Cl	0.027
4	H	0.275
5	H	0.275
6	F	-0.394
7	F	-0.375
8	F	-0.375

	x	y	z	Total
	-1.456	1.603	0.000	2.166
CHELPG
AIM
ESP

<r²>	186.520
(<r²>)^1/2	13.657

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

using model chemistry: ROHF/6-31+G**

States and conformations

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