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	hartrees
Energy at 0K	-1196.692380
Energy at 298.15K
HF Energy	-1196.515040
Nuclear repulsion energy	367.460006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3233	0.95
2	A'	3216	3216	11.26
3	A'	1435	1435	20.02
4	A'	1278	1278	2.50
5	A'	1145	1145	60.26
6	A'	1042	1042	61.50
7	A'	751	751	37.73
8	A'	519	519	11.52
9	A'	376	376	26.29
10	A'	331	331	11.19
11	A'	238	238	0.35
12	A"	1387	1387	6.16
13	A"	1255	1255	16.80
14	A"	1088	1088	106.91
15	A"	753	753	126.42
16	A"	377	377	3.25
17	A"	176	176	2.32
18	A"	74	74	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.410	-0.196	0.000
C2	-0.373	1.105	0.000
H3	1.485	-0.042	0.000
H4	-1.448	0.952	0.000
Cl5	-0.005	-1.168	1.525
Cl6	-0.005	-1.168	-1.525
F7	-0.005	1.853	1.135
F8	-0.005	1.853	-1.135

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5183	1.0859	2.1834	1.8561	1.8561	2.3783	2.3783
C2	1.5183		2.1834	1.0859	2.7623	2.7623	1.4079	1.4079
H3	1.0859	2.1834		3.0964	2.4116	2.4116	2.6643	2.6643
H4	2.1834	1.0859	3.0964		2.9834	2.9834	2.0449	2.0449
Cl5	1.8561	2.7623	2.4116	2.9834		3.0508	3.0459	4.0254
Cl6	1.8561	2.7623	2.4116	2.9834	3.0508		4.0254	3.0459
F7	2.3783	1.4079	2.6643	2.0449	3.0459	4.0254		2.2703
F8	2.3783	1.4079	2.6643	2.0449	4.0254	3.0459	2.2703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.896	C1	C2	F7	108.677
C1	C2	F8	108.677	C2	C1	H3	112.896
C2	C1	Cl5	109.487	C2	C1	Cl6	109.487
H3	C1	Cl5	107.197	H3	C1	Cl6	107.197
H4	C2	F7	109.487	H4	C2	F8	109.487
Cl5	C1	Cl6	110.541	F7	C2	F8	107.466

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

using model chemistry: B2PLYP=FULLultrafine/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 CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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