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	hartrees
Energy at 0K	-1195.922823
Energy at 298.15K	-1195.926355
HF Energy	-1194.882924
Nuclear repulsion energy	377.252549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3163	3044
2	A'	3150	3032
3	A'	1453	1398
4	A'	1280	1232
5	A'	1153	1110
6	A'	1086	1045
7	A'	803	773
8	A'	581	560
9	A'	406	390
10	A'	347	334
11	A'	252	242
12	A"	1404	1352
13	A"	1277	1229
14	A"	1141	1098
15	A"	837	805
16	A"	400	385
17	A"	181	174
18	A"	79	76

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.230	0.000
C2	-0.354	1.092	0.000
H3	1.489	-0.060	0.000
H4	-1.429	0.921	0.000
Cl5	-0.008	-1.140	1.478
Cl6	-0.008	-1.140	-1.478
F7	-0.008	1.818	1.093
F8	-0.008	1.818	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5283	1.0890	2.1730	1.7863	1.7863	2.3595	2.3595
C2	1.5283		2.1730	1.0890	2.6990	2.6990	1.3570	1.3570
H3	1.0890	2.1730		3.0790	2.3650	2.3650	2.6387	2.6387
H4	2.1730	1.0890	3.0790		2.9077	2.9077	2.0045	2.0045
Cl5	1.7863	2.6990	2.3650	2.9077		2.9569	2.9827	3.9192
Cl6	1.7863	2.6990	2.3650	2.9077	2.9569		3.9192	2.9827
F7	2.3595	1.3570	2.6387	2.0045	2.9827	3.9192		2.1858
F8	2.3595	1.3570	2.6387	2.0045	3.9192	2.9827	2.1858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.137	C1	C2	F7	109.580
C1	C2	F8	109.580	C2	C1	H3	111.137
C2	C1	Cl5	108.782	C2	C1	Cl6	108.782
H3	C1	Cl5	108.217	H3	C1	Cl6	108.217
H4	C2	F7	109.583	H4	C2	F8	109.583
Cl5	C1	Cl6	111.723	F7	C2	F8	107.296

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

using model chemistry: CCSD(T)/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: CCSD(T)/TZVP

States and conformations

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