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	hartrees
Energy at 0K	-1189.382891
Energy at 298.15K	-1189.386210
HF Energy	-1188.849227
Nuclear repulsion energy	367.364193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3114	0.58
2	A'	3173	3085	19.39
3	A'	1470	1430	26.92
4	A'	1287	1252	0.38
5	A'	1135	1103	92.19
6	A'	1067	1037	22.94
7	A'	740	720	28.72
8	A'	539	524	12.20
9	A'	372	362	22.87
10	A'	321	312	9.84
11	A'	230	224	0.19
12	A"	1452	1412	12.84
13	A"	1225	1191	4.75
14	A"	1198	1164	81.32
15	A"	781	759	82.97
16	A"	385	374	1.56
17	A"	169	164	1.92
18	A"	75	73	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.420	-0.189	0.000
C2	-0.370	1.117	0.000
H3	1.493	-0.009	0.000
H4	-1.443	0.936	0.000
Cl5	-0.007	-1.166	1.536
Cl6	-0.007	-1.166	-1.536
F7	-0.007	1.842	1.130
F8	-0.007	1.842	-1.130

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5262	1.0886	2.1765	1.8698	1.8698	2.3636	2.3636
C2	1.5262		2.1765	1.0886	2.7756	2.7756	1.3911	1.3911
H3	1.0886	2.1765		3.0847	2.4391	2.4391	2.6367	2.6367
H4	2.1765	1.0886	3.0847		2.9738	2.9738	2.0402	2.0402
Cl5	1.8698	2.7756	2.4391	2.9738		3.0726	3.0359	4.0200
Cl6	1.8698	2.7756	2.4391	2.9738	3.0726		4.0200	3.0359
F7	2.3636	1.3911	2.6367	2.0402	3.0359	4.0200		2.2597
F8	2.3636	1.3911	2.6367	2.0402	4.0200	3.0359	2.2597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.598	C1	C2	F7	108.140
C1	C2	F8	108.140	C2	C1	H3	111.598
C2	C1	Cl5	109.215	C2	C1	Cl6	109.215
H3	C1	Cl5	108.154	H3	C1	Cl6	108.154
H4	C2	F7	110.129	H4	C2	F8	110.129
Cl5	C1	Cl6	110.500	F7	C2	F8	108.621

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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