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	hartrees
Energy at 0K	-1196.955146
Energy at 298.15K	-1196.958629
HF Energy	-1196.955146
Nuclear repulsion energy	378.548760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3023	8.54
2	A'	3154	3011	6.86
3	A'	1414	1350	36.60
4	A'	1260	1203	1.62
5	A'	1146	1094	121.67
6	A'	1083	1034	29.77
7	A'	806	769	34.40
8	A'	571	545	7.45
9	A'	401	382	16.72
10	A'	347	331	11.44
11	A'	253	241	0.37
12	A"	1366	1304	9.87
13	A"	1258	1201	16.71
14	A"	1138	1086	178.14
15	A"	827	790	142.29
16	A"	397	379	1.66
17	A"	179	171	1.19
18	A"	76	72	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.230	0.000
C2	-0.360	1.093	0.000
H3	1.483	-0.067	0.000
H4	-1.440	0.929	0.000
Cl5	-0.006	-1.138	1.467
Cl6	-0.006	-1.138	-1.467
F7	-0.006	1.813	1.093
F8	-0.006	1.813	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5278	1.0923	2.1777	1.7731	1.7731	2.3537	2.3537
C2	1.5278		2.1777	1.0923	2.6934	2.6934	1.3561	1.3561
H3	1.0923	2.1777		3.0882	2.3491	2.3491	2.6360	2.6360
H4	2.1777	1.0923	3.0882		2.9123	2.9123	2.0080	2.0080
Cl5	1.7731	2.6934	2.3491	2.9123		2.9348	2.9746	3.9071
Cl6	1.7731	2.6934	2.3491	2.9123	2.9348		3.9071	2.9746
F7	2.3537	1.3561	2.6360	2.0080	2.9746	3.9071		2.1865
F8	2.3537	1.3561	2.6360	2.0080	3.9071	2.9746	2.1865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.348	C1	C2	F7	109.259
C1	C2	F8	109.259	C2	C1	H3	111.348
C2	C1	Cl5	109.140	C2	C1	Cl6	109.140
H3	C1	Cl5	107.756	H3	C1	Cl6	107.756
H4	C2	F7	109.723	H4	C2	F8	109.723
Cl5	C1	Cl6	111.707	F7	C2	F8	107.445

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.352
2	C	0.372
3	H	0.280
4	H	0.181
5	Cl	0.035
6	Cl	0.035
7	F	-0.276
8	F	-0.276

	x	y	z
x	5.819	0.132	0.000
y	0.132	7.191	0.000
z	0.000	0.000	8.759

<r²>	242.646
(<r²>)^1/2	15.577

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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