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	hartrees
Energy at 0K	-1096.632543
Energy at 298.15K	-1096.636712
HF Energy	-1095.872587
Nuclear repulsion energy	299.118518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3038	2.19
2	A'	3134	2941	1.43
3	A'	1540	1445	4.36
4	A'	1483	1391	20.25
5	A'	1259	1181	105.86
6	A'	1192	1118	65.03
7	A'	998	936	58.56
8	A'	616	578	23.43
9	A'	447	419	4.89
10	A'	390	366	0.70
11	A'	274	257	0.27
12	A"	3223	3024	3.09
13	A"	1539	1444	2.21
14	A"	1164	1093	110.40
15	A"	810	760	150.98
16	A"	411	386	0.02
17	A"	315	295	0.83
18	A"	287	270	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.330	0.000
C2	-1.162	1.269	0.000
F3	1.166	1.051	0.000
Cl4	0.020	-0.693	1.457
Cl5	0.020	-0.693	-1.457
H6	-2.099	0.712	0.000
H7	-1.105	1.896	0.892
H8	-1.105	1.896	-0.892

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5093	1.3545	1.7796	1.7796	2.1526	2.1246	2.1246
C2	1.5093		2.3379	2.7139	2.7139	1.0903	1.0921	1.0921
F3	1.3545	2.3379		2.5450	2.5450	3.2824	2.5820	2.5820
Cl4	1.7796	2.7139	2.5450		2.9130	2.9295	2.8782	3.6719
Cl5	1.7796	2.7139	2.5450	2.9130		2.9295	3.6719	2.8782
H6	2.1526	1.0903	3.2824	2.9295	2.9295		1.7851	1.7851
H7	2.1246	1.0921	2.5820	2.8782	3.6719	1.7851		1.7847
H8	2.1246	1.0921	2.5820	3.6719	2.8782	1.7851	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.772	C1	C2	H7	108.451
C1	C2	H8	108.451	C2	C1	F3	109.325
C2	C1	Cl4	110.950	C2	C1	Cl5	110.950
F3	C1	Cl4	107.823	F3	C1	Cl5	107.823
Cl4	C1	Cl5	109.863	H6	C2	H7	109.769
H6	C2	H8	109.769	H7	C2	H8	109.598

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

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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