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	hartrees
Energy at 0K	-636.976671
Energy at 298.15K
HF Energy	-636.976671
Nuclear repulsion energy	157.801134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	2964	22.91
2	A'	3272	2940	24.08
3	A'	1679	1509	0.23
4	A'	1645	1478	9.29
5	A'	1578	1417	6.61
6	A'	1423	1278	25.16
7	A'	1184	1064	137.82
8	A'	1151	1035	4.41
9	A'	836	751	73.36
10	A'	411	370	2.77
11	A'	267	240	14.25
12	A"	3367	3025	17.53
13	A"	3325	2988	25.10
14	A"	1426	1281	0.07
15	A"	1342	1206	2.82
16	A"	1175	1055	2.81
17	A"	860	773	0.11
18	A"	141	127	12.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.606	0.000
C2	1.001	-0.531	0.000
Cl3	-1.664	-0.048	0.000
F4	2.252	0.024	0.000
H5	0.113	1.218	0.880
H6	0.113	1.218	-0.880
H7	0.896	-1.145	0.883
H8	0.896	-1.145	-0.883

	C1	C2	Cl3	F4	H5	H6	H7	H8
C1		1.5148	1.7882	2.3260	1.0783	1.0783	2.1562	2.1562
C2	1.5148		2.7087	1.3682	2.1504	2.1504	1.0806	1.0806
Cl3	1.7882	2.7087		3.9168	2.3528	2.3528	2.9221	2.9221
F4	2.3260	1.3682	3.9168		2.6036	2.6036	1.9959	1.9959
H5	1.0783	2.1504	2.3528	2.6036		1.7609	2.4901	3.0511
H6	1.0783	2.1504	2.3528	2.6036	1.7609		3.0511	2.4901
H7	2.1562	1.0806	2.9221	1.9959	2.4901	3.0511		1.7651
H8	2.1562	1.0806	2.9221	1.9959	3.0511	2.4901	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.457	C1	C2	H7	111.260
C1	C2	H8	111.260	C2	C1	Cl3	109.912
C2	C1	H5	110.923	C2	C1	H6	110.923
Cl3	C1	H5	107.749	Cl3	C1	H6	107.749
F4	C2	H7	108.624	F4	C2	H8	108.624
H5	C1	H6	109.477	H7	C2	H8	109.524

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: HF/6-31G*

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	-0.428
2	C	0.118
3	Cl	-0.099
4	F	-0.404
5	H	0.230
6	H	0.230
7	H	0.176
8	H	0.176

	x	y	z	Total
	0.306	0.042	0.000	0.309
CHELPG
AIM
ESP

	x	y	z
x	5.605	0.416	0.005
y	0.416	3.980	0.012
z	0.005	0.012	3.718

<r²>	133.181
(<r²>)^1/2	11.540

All results from a given calculation for CH2FCH2Cl (Ethane, 1-chloro-2-fluoro-)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂FCH₂Cl (Ethane, 1-chloro-2-fluoro-)