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	hartrees
Energy at 0K	-1182.951269
Energy at 298.15K
HF Energy	-1182.891740
Nuclear repulsion energy	364.638557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3341	4.96
2	A'	3333	3333	3.73
3	A'	1449	1449	15.93
4	A'	1299	1299	25.63
5	A'	1167	1167	36.63
6	A'	1057	1057	6.81
7	A'	828	828	27.14
8	A'	539	539	8.80
9	A'	378	378	8.40
10	A'	324	324	11.14
11	A'	225	225	2.42
12	A"	1445	1445	13.12
13	A"	1331	1331	27.72
14	A"	1247	1247	22.94
15	A"	937	937	82.54
16	A"	383	383	0.74
17	A"	143	143	0.53
18	A"	33	33	0.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.244	0.000
C2	-0.378	1.162	0.000
H3	1.511	-0.060	0.000
H4	-1.481	0.978	0.000
Cl5	-0.004	-1.185	1.523
Cl6	-0.004	-1.185	-1.523
F7	-0.004	1.881	1.137
F8	-0.004	1.881	-1.137

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.6104	1.1193	2.2493	1.8364	1.8364	2.4456	2.4456
C2	1.6104		2.2493	1.1193	2.8225	2.8225	1.3965	1.3965
H3	1.1193	2.2493		3.1671	2.4247	2.4247	2.7123	2.7123
H4	2.2493	1.1193	3.1671		3.0295	3.0295	2.0720	2.0720
Cl5	1.8364	2.8225	2.4247	3.0295		3.0453	3.0907	4.0593
Cl6	1.8364	2.8225	2.4247	3.0295	3.0453		4.0593	3.0907
F7	2.4456	1.3965	2.7123	2.0720	3.0907	4.0593		2.2742
F8	2.4456	1.3965	2.7123	2.0720	4.0593	3.0907	2.2742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.665	C1	C2	F7	108.641
C1	C2	F8	108.641	C2	C1	H3	109.665
C2	C1	Cl5	109.776	C2	C1	Cl6	109.776
H3	C1	Cl5	107.768	H3	C1	Cl6	107.768
H4	C2	F7	110.411	H4	C2	F8	110.411
Cl5	C1	Cl6	112.028	F7	C2	F8	109.028

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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/STO-3G

States and conformations

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