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	hartrees
Energy at 0K	-1195.740829
Energy at 298.15K	-1195.744382
HF Energy	-1194.785714
Nuclear repulsion energy	377.216544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3000	17.01
2	A'	3157	2991	7.89
3	A'	1439	1364	51.89
4	A'	1265	1199	2.03
5	A'	1168	1107	106.20
6	A'	1096	1038	39.16
7	A'	810	768	31.52
8	A'	584	553	8.03
9	A'	403	382	15.64
10	A'	347	329	10.77
11	A'	254	241	0.25
12	A"	1399	1326	22.35
13	A"	1251	1185	15.51
14	A"	1187	1124	151.01
15	A"	853	808	112.62
16	A"	404	382	1.08
17	A"	184	174	1.43
18	A"	81	76	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	-0.226	0.000
C2	-0.359	1.103	0.000
H3	1.493	-0.051	0.000
H4	-1.446	0.928	0.000
Cl5	-0.006	-1.143	1.474
Cl6	-0.006	-1.143	-1.474
F7	-0.006	1.818	1.094
F8	-0.006	1.818	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5331	1.1009	2.1820	1.7839	1.7839	2.3550	2.3550
C2	1.5331		2.1820	1.1009	2.7091	2.7091	1.3544	1.3544
H3	1.1009	2.1820		3.0977	2.3687	2.3687	2.6342	2.6342
H4	2.1820	1.1009	3.0977		2.9213	2.9213	2.0160	2.0160
Cl5	1.7839	2.7091	2.3687	2.9213		2.9475	2.9854	3.9197
Cl6	1.7839	2.7091	2.3687	2.9213	2.9475		3.9197	2.9854
F7	2.3550	1.3544	2.6342	2.0160	2.9854	3.9197		2.1887
F8	2.3550	1.3544	2.6342	2.0160	3.9197	2.9854	2.1887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.798	C1	C2	F7	109.136
C1	C2	F8	109.136	C2	C1	H3	110.798
C2	C1	Cl5	109.282	C2	C1	Cl6	109.282
H3	C1	Cl5	108.036	H3	C1	Cl6	108.036
H4	C2	F7	109.954	H4	C2	F8	109.954
Cl5	C1	Cl6	111.402	F7	C2	F8	107.802

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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