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	hartrees
Energy at 0K	-1098.327437
Energy at 298.15K	-1098.331300
HF Energy	-1098.327437
Nuclear repulsion energy	295.843634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3113	3069	3.67
2	A'	3012	2970	3.47
3	A'	1450	1429	3.39
4	A'	1381	1362	14.34
5	A'	1142	1126	102.65
6	A'	1091	1076	66.41
7	A'	898	885	92.96
8	A'	557	550	29.46
9	A'	416	410	1.80
10	A'	366	360	2.96
11	A'	246	243	0.09
12	A"	3091	3048	6.67
13	A"	1452	1431	0.74
14	A"	1074	1059	89.12
15	A"	666	656	200.74
16	A"	375	370	7.85
17	A"	286	282	0.55
18	A"	261	257	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.019	0.349	0.000
C2	-1.171	1.281	0.000
F3	1.180	1.057	0.000
Cl4	0.019	-0.700	1.475
Cl5	0.019	-0.700	-1.475
H6	-2.096	0.705	0.000
H7	-1.128	1.907	0.894
H8	-1.128	1.907	-0.894

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5108	1.3598	1.8107	1.8107	2.1448	2.1315	2.1315
C2	1.5108		2.3612	2.7416	2.7416	1.0900	1.0926	1.0926
F3	1.3598	2.3612		2.5717	2.5717	3.2950	2.6173	2.6173
Cl4	1.8107	2.7416	2.5717		2.9508	2.9369	2.9078	3.7054
Cl5	1.8107	2.7416	2.5717	2.9508		2.9369	3.7054	2.9078
H6	2.1448	1.0900	3.2950	2.9369	2.9369		1.7837	1.7837
H7	2.1315	1.0926	2.6173	2.9078	3.7054	1.7837		1.7878
H8	2.1315	1.0926	2.6173	3.7054	2.9078	1.7837	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.516	C1	C2	H7	108.715
C1	C2	H8	108.715	C2	C1	F3	110.134
C2	C1	Cl4	110.596	C2	C1	Cl5	110.596
F3	C1	Cl4	108.036	F3	C1	Cl5	108.036
Cl4	C1	Cl5	109.368	H6	C2	H7	109.605
H6	C2	H8	109.605	H7	C2	H8	109.664

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

using model chemistry: B97D3/cc-pVTZ

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	0.249
2	C	-0.218
3	F	-0.139
4	Cl	-0.111
5	Cl	-0.111
6	H	0.112
7	H	0.108
8	H	0.108

	x	y	z	Total
	-1.549	1.338	0.000	2.047
CHELPG
AIM
ESP

	x	y	z
x	6.088	-0.441	0.000
y	-0.441	7.395	0.000
z	0.000	0.000	8.848

<r²>	174.661
(<r²>)^1/2	13.216

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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