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	hartrees
Energy at 0K	-1195.820986
Energy at 298.15K	-1195.824611
HF Energy	-1194.851662
Nuclear repulsion energy	379.603906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3030	17.72
2	A'	3176	3018	4.17
3	A'	1459	1387	41.69
4	A'	1288	1224	0.36
5	A'	1169	1111	122.66
6	A'	1102	1047	39.90
7	A'	829	787	29.92
8	A'	585	556	7.42
9	A'	411	391	15.88
10	A'	356	339	10.42
11	A'	264	251	0.28
12	A"	1417	1347	15.13
13	A"	1304	1239	20.99
14	A"	1168	1110	152.25
15	A"	871	827	125.57
16	A"	410	389	0.92
17	A"	190	180	1.50
18	A"	84	79	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.233	0.000
C2	-0.355	1.091	0.000
H3	1.480	-0.059	0.000
H4	-1.431	0.917	0.000
Cl5	-0.007	-1.134	1.463
Cl6	-0.007	-1.134	-1.463
F7	-0.007	1.808	1.093
F8	-0.007	1.808	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5267	1.0897	2.1658	1.7666	1.7666	2.3513	2.3513
C2	1.5267		2.1658	1.0897	2.6857	2.6857	1.3523	1.3523
H3	1.0897	2.1658		3.0701	2.3468	2.3468	2.6248	2.6248
H4	2.1658	1.0897	3.0701		2.8937	2.8937	2.0038	2.0038
Cl5	1.7666	2.6857	2.3468	2.8937		2.9255	2.9652	3.8968
Cl6	1.7666	2.6857	2.3468	2.8937	2.9255		3.8968	2.9652
F7	2.3513	1.3523	2.6248	2.0038	2.9652	3.8968		2.1851
F8	2.3513	1.3523	2.6248	2.0038	3.8968	2.9652	2.1851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.631	C1	C2	F7	109.368
C1	C2	F8	109.368	C2	C1	H3	110.631
C2	C1	Cl5	109.061	C2	C1	Cl6	109.061
H3	C1	Cl5	108.148	H3	C1	Cl6	108.148
H4	C2	F7	109.815	H4	C2	F8	109.815
Cl5	C1	Cl6	111.791	F7	C2	F8	107.792

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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