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	hartrees
Energy at 0K	-1098.159114
Energy at 298.15K	-1098.162902
HF Energy	-1098.159114
Nuclear repulsion energy	292.377571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3101	3076	3.63
2	A'	3004	2980	2.86
3	A'	1471	1459	2.70
4	A'	1399	1388	10.02
5	A'	1166	1156	117.87
6	A'	1093	1084	64.31
7	A'	911	904	83.62
8	A'	546	542	35.01
9	A'	406	402	2.88
10	A'	357	354	2.41
11	A'	242	240	0.20
12	A"	3075	3050	6.08
13	A"	1472	1460	1.18
14	A"	1083	1074	95.46
15	A"	658	653	217.30
16	A"	367	364	8.13
17	A"	288	286	0.33
18	A"	265	263	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.342	0.000
C2	-1.184	1.284	0.000
F3	1.176	1.076	0.000
Cl4	0.023	-0.706	1.493
Cl5	0.023	-0.706	-1.493
H6	-2.127	0.721	0.000
H7	-1.139	1.919	0.897
H8	-1.139	1.919	-0.897

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5318	1.3662	1.8234	1.8234	2.1836	2.1550	2.1550
C2	1.5318		2.3691	2.7649	2.7649	1.0978	1.1001	1.1001
F3	1.3662	2.3691		2.5940	2.5940	3.3216	2.6215	2.6215
Cl4	1.8234	2.7649	2.5940		2.9855	2.9813	2.9319	3.7351
Cl5	1.8234	2.7649	2.5940	2.9855		2.9813	3.7351	2.9319
H6	2.1836	1.0978	3.3216	2.9813	2.9813		1.7935	1.7935
H7	2.1550	1.1001	2.6215	2.9319	3.7351	1.7935		1.7936
H8	2.1550	1.1001	2.6215	3.7351	2.9319	1.7935	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	111.207	C1	C2	H7	108.825
C1	C2	H8	108.825	C2	C1	F3	109.536
C2	C1	Cl4	110.687	C2	C1	Cl5	110.687
F3	C1	Cl4	107.974	F3	C1	Cl5	107.974
Cl4	C1	Cl5	109.901	H6	C2	H7	109.369
H6	C2	H8	109.369	H7	C2	H8	109.217

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

using model chemistry: BLYP/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	0.120
2	C	-0.411
3	F	-0.205
4	Cl	-0.020
5	Cl	-0.020
6	H	0.179
7	H	0.178
8	H	0.178

	x	y	z	Total
	-1.472	1.559	0.000	2.144
CHELPG
AIM
ESP

	x	y	z
x	4.954	-0.324	0.000
y	-0.324	6.424	0.000
z	0.000	0.000	8.089

<r²>	178.466
(<r²>)^1/2	13.359

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

using model chemistry: BLYP/6-31G*

States and conformations

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