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	hartrees
Energy at 0K	-1189.788874
Energy at 298.15K	-1189.792296
HF Energy	-1189.065129
Nuclear repulsion energy	373.776802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3039	2.94
2	A'	3141	3019	18.70
3	A'	1464	1407	25.23
4	A'	1301	1250	0.75
5	A'	1123	1080	91.30
6	A'	1053	1012	22.19
7	A'	779	749	26.37
8	A'	541	520	10.18
9	A'	380	365	21.64
10	A'	346	332	10.64
11	A'	252	242	0.04
12	A"	1449	1393	14.97
13	A"	1290	1239	13.44
14	A"	1187	1141	75.16
15	A"	805	774	95.68
16	A"	394	379	2.03
17	A"	175	168	1.90
18	A"	78	75	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.224	0.000
C2	-0.372	1.101	0.000
H3	1.482	-0.035	0.000
H4	-1.447	0.913	0.000
Cl5	-0.005	-1.147	1.482
Cl6	-0.005	-1.147	-1.482
F7	-0.005	1.825	1.133
F8	-0.005	1.825	-1.133

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5376	1.0908	2.1744	1.7941	1.7941	2.3772	2.3772
C2	1.5376		2.1744	1.0908	2.7180	2.7180	1.3934	1.3934
H3	1.0908	2.1744		3.0776	2.3754	2.3754	2.6366	2.6366
H4	2.1744	1.0908	3.0776		2.9185	2.9185	2.0481	2.0481
Cl5	1.7941	2.7180	2.3754	2.9185		2.9645	2.9926	3.9586
Cl6	1.7941	2.7180	2.3754	2.9185	2.9645		3.9586	2.9926
F7	2.3772	1.3934	2.6366	2.0481	2.9926	3.9586		2.2652
F8	2.3772	1.3934	2.6366	2.0481	3.9586	2.9926	2.2652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.487	C1	C2	F7	108.297
C1	C2	F8	108.297	C2	C1	H3	110.487
C2	C1	Cl5	109.093	C2	C1	Cl6	109.093
H3	C1	Cl5	108.374	H3	C1	Cl6	108.374
H4	C2	F7	110.472	H4	C2	F8	110.472
Cl5	C1	Cl6	111.417	F7	C2	F8	108.746

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: QCISD/3-21G*

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 CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)