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	hartrees
Energy at 0K	-1195.857382
Energy at 298.15K	-1195.860961
HF Energy	-1194.883203
Nuclear repulsion energy	378.662635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3030	12.12
2	A'	3183	3017	4.39
3	A'	1459	1383	36.80
4	A'	1288	1221	0.94
5	A'	1161	1101	114.04
6	A'	1096	1039	42.45
7	A'	819	776	28.67
8	A'	585	555	7.00
9	A'	410	389	18.38
10	A'	352	334	10.28
11	A'	256	243	0.23
12	A"	1412	1338	9.13
13	A"	1288	1221	19.25
14	A"	1139	1080	168.29
15	A"	856	812	114.07
16	A"	405	384	0.89
17	A"	184	174	1.44
18	A"	82	77	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.411	-0.232	0.000
C2	-0.353	1.086	0.000
H3	1.485	-0.062	0.000
H4	-1.426	0.916	0.000
Cl5	-0.008	-1.135	1.471
Cl6	-0.008	-1.135	-1.471
F7	-0.008	1.811	1.093
F8	-0.008	1.811	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5234	1.0870	2.1669	1.7759	1.7759	2.3549	2.3549
C2	1.5234		2.1669	1.0870	2.6857	2.6857	1.3562	1.3562
H3	1.0870	2.1669		3.0714	2.3543	2.3543	2.6332	2.6332
H4	2.1669	1.0870	3.0714		2.8949	2.8949	2.0018	2.0018
Cl5	1.7759	2.6857	2.3543	2.8949		2.9413	2.9704	3.9053
Cl6	1.7759	2.6857	2.3543	2.8949	2.9413		3.9053	2.9704
F7	2.3549	1.3562	2.6332	2.0018	2.9704	3.9053		2.1853
F8	2.3549	1.3562	2.6332	2.0018	3.9053	2.9704	2.1853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.116	C1	C2	F7	109.597
C1	C2	F8	109.597	C2	C1	H3	111.116
C2	C1	Cl5	108.744	C2	C1	Cl6	108.744
H3	C1	Cl5	108.222	H3	C1	Cl6	108.222
H4	C2	F7	109.549	H4	C2	F8	109.549
Cl5	C1	Cl6	111.814	F7	C2	F8	107.356

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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