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	hartrees
Energy at 0K	-1098.316034
Energy at 298.15K	-1098.319913
HF Energy	-1098.316034
Nuclear repulsion energy	296.588440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	3065	3.10
2	A'	3006	2967	3.35
3	A'	1451	1432	4.37
4	A'	1381	1363	13.67
5	A'	1128	1114	89.17
6	A'	1088	1074	61.37
7	A'	889	877	95.88
8	A'	561	554	26.98
9	A'	419	414	1.52
10	A'	368	363	3.09
11	A'	250	246	0.05
12	A"	3086	3045	5.91
13	A"	1454	1435	1.03
14	A"	1073	1059	86.12
15	A"	672	663	194.95
16	A"	379	374	6.79
17	A"	289	285	0.69
18	A"	264	260	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.018	0.344	0.000
C2	-1.168	1.283	0.000
F3	1.182	1.050	0.000
Cl4	0.018	-0.698	1.469
Cl5	0.018	-0.698	-1.469
H6	-2.096	0.712	0.000
H7	-1.123	1.910	0.894
H8	-1.123	1.910	-0.894

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5128	1.3614	1.8017	1.8017	2.1460	2.1337	2.1337
C2	1.5128		2.3617	2.7374	2.7374	1.0901	1.0925	1.0925
F3	1.3614	2.3617		2.5635	2.5635	3.2958	2.6177	2.6177
Cl4	1.8017	2.7374	2.5635		2.9384	2.9356	2.9047	3.7001
Cl5	1.8017	2.7374	2.5635	2.9384		2.9356	3.7001	2.9047
H6	2.1460	1.0901	3.2958	2.9356	2.9356		1.7837	1.7837
H7	2.1337	1.0925	2.6177	2.9047	3.7001	1.7837		1.7878
H8	2.1337	1.0925	2.6177	3.7001	2.9047	1.7837	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.490	C1	C2	H7	108.766
C1	C2	H8	108.766	C2	C1	F3	110.197
C2	C1	Cl4	110.735	C2	C1	Cl5	110.735
F3	C1	Cl4	107.884	F3	C1	Cl5	107.884
Cl4	C1	Cl5	109.316	H6	C2	H7	109.579
H6	C2	H8	109.579	H7	C2	H8	109.642

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.330
2	C	-0.097
3	F	-0.276
4	Cl	-0.209
5	Cl	-0.209
6	H	0.159
7	H	0.152
8	H	0.152

	x	y	z	Total
	-1.626	1.253	0.000	2.052
CHELPG
AIM
ESP

	x	y	z
x	7.388	-0.390	0.000
y	-0.390	8.425	0.000
z	0.000	0.000	9.811

<r²>	174.083
(<r²>)^1/2	13.194

All results from a given calculation for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)