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	hartrees
Energy at 0K	-1196.692394
Energy at 298.15K	-1196.695693
HF Energy	-1196.515050
Nuclear repulsion energy	367.467754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3234	0.94
2	A'	3217	3217	11.24
3	A'	1435	1435	20.03
4	A'	1278	1278	2.49
5	A'	1145	1145	60.00
6	A'	1042	1042	61.67
7	A'	752	752	37.79
8	A'	520	520	11.50
9	A'	376	376	26.39
10	A'	331	331	11.11
11	A'	238	238	0.35
12	A"	1388	1388	6.14
13	A"	1256	1256	16.86
14	A"	1088	1088	106.87
15	A"	754	754	126.49
16	A"	377	377	3.20
17	A"	176	176	2.31
18	A"	74	74	1.15

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	0.951	0.000
Cl5	-0.005	-1.168	1.525
Cl6	-0.005	-1.168	-1.525
F7	-0.005	1.852	1.135
F8	-0.005	1.852	-1.135

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5183	1.0859	2.1835	1.8560	1.8560	2.3783	2.3783
C2	1.5183		2.1835	1.0859	2.7621	2.7621	1.4080	1.4080
H3	1.0859	2.1835		3.0965	2.4117	2.4117	2.6644	2.6644
H4	2.1835	1.0859	3.0965		2.9831	2.9831	2.0449	2.0449
Cl5	1.8560	2.7621	2.4117	2.9831		3.0509	3.0454	4.0252
Cl6	1.8560	2.7621	2.4117	2.9831	3.0509		4.0252	3.0454
F7	2.3783	1.4080	2.6644	2.0449	3.0454	4.0252		2.2708
F8	2.3783	1.4080	2.6644	2.0449	4.0252	3.0454	2.2708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.901	C1	C2	F7	108.671
C1	C2	F8	108.671	C2	C1	H3	112.901
C2	C1	Cl5	109.473	C2	C1	Cl6	109.473
H3	C1	Cl5	107.206	H3	C1	Cl6	107.206
H4	C2	F7	109.482	H4	C2	F8	109.482
Cl5	C1	Cl6	110.547	F7	C2	F8	107.485

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

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

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

States and conformations

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