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	hartrees
Energy at 0K	-1189.391334
Energy at 298.15K	-1189.394611
HF Energy	-1188.848603
Nuclear repulsion energy	366.627015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3094	0.55
2	A'	3162	3065	19.68
3	A'	1461	1416	25.40
4	A'	1278	1239	0.52
5	A'	1120	1086	91.56
6	A'	1058	1025	23.04
7	A'	731	708	30.17
8	A'	533	517	12.39
9	A'	368	357	22.48
10	A'	318	308	9.54
11	A'	228	221	0.22
12	A"	1443	1399	11.94
13	A"	1211	1174	9.09
14	A"	1180	1144	80.89
15	A"	764	740	94.15
16	A"	381	369	1.99
17	A"	168	162	1.98
18	A"	74	72	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	-0.188	0.000
C2	-0.372	1.118	0.000
H3	1.495	-0.007	0.000
H4	-1.446	0.938	0.000
Cl5	-0.007	-1.168	1.540
Cl6	-0.007	-1.168	-1.540
F7	-0.007	1.845	1.133
F8	-0.007	1.845	-1.133

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5276	1.0890	2.1800	1.8750	1.8750	2.3660	2.3660
C2	1.5276		2.1800	1.0890	2.7804	2.7804	1.3947	1.3947
H3	1.0890	2.1800		3.0892	2.4442	2.4442	2.6402	2.6402
H4	2.1800	1.0890	3.0892		2.9794	2.9794	2.0439	2.0439
Cl5	1.8750	2.7804	2.4442	2.9794		3.0795	3.0404	4.0277
Cl6	1.8750	2.7804	2.4442	2.9794	3.0795		4.0277	3.0404
F7	2.3660	1.3947	2.6402	2.0439	3.0404	4.0277		2.2660
F8	2.3660	1.3947	2.6402	2.0439	4.0277	3.0404	2.2660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.752	C1	C2	F7	108.029
C1	C2	F8	108.029	C2	C1	H3	111.752
C2	C1	Cl5	109.176	C2	C1	Cl6	109.176
H3	C1	Cl5	108.159	H3	C1	Cl6	108.159
H4	C2	F7	110.146	H4	C2	F8	110.146
Cl5	C1	Cl6	110.413	F7	C2	F8	108.648

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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