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	hartrees
Energy at 0K	-1195.614364
Energy at 298.15K	-1195.617966
HF Energy	-1194.726258
Nuclear repulsion energy	378.948128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3016	8.61
2	A'	3203	3006	11.93
3	A'	1484	1392	44.16
4	A'	1305	1225	0.91
5	A'	1193	1120	103.89
6	A'	1126	1057	34.26
7	A'	834	783	32.20
8	A'	581	545	8.06
9	A'	410	385	18.19
10	A'	358	336	11.71
11	A'	262	246	0.29
12	A"	1442	1354	19.84
13	A"	1324	1242	21.14
14	A"	1210	1136	130.98
15	A"	879	825	111.72
16	A"	411	386	0.89
17	A"	189	177	1.46
18	A"	85	80	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.227	0.000
C2	-0.361	1.092	0.000
H3	1.478	-0.054	0.000
H4	-1.437	0.919	0.000
Cl5	-0.005	-1.136	1.466
Cl6	-0.005	-1.136	-1.466
F7	-0.005	1.809	1.095
F8	-0.005	1.809	-1.095

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5246	1.0900	2.1671	1.7720	1.7720	2.3478	2.3478
C2	1.5246		2.1671	1.0900	2.6908	2.6908	1.3564	1.3564
H3	1.0900	2.1671		3.0733	2.3495	2.3495	2.6209	2.6209
H4	2.1671	1.0900	3.0733		2.9019	2.9019	2.0107	2.0107
Cl5	1.7720	2.6908	2.3495	2.9019		2.9318	2.9680	3.9028
Cl6	1.7720	2.6908	2.3495	2.9019	2.9318		3.9028	2.9680
F7	2.3478	1.3564	2.6209	2.0107	2.9680	3.9028		2.1907
F8	2.3478	1.3564	2.6209	2.0107	3.9028	2.9680	2.1907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.869	C1	C2	F7	109.022
C1	C2	F8	109.022	C2	C1	H3	110.869
C2	C1	Cl5	109.195	C2	C1	Cl6	109.195
H3	C1	Cl5	107.972	H3	C1	Cl6	107.972
H4	C2	F7	110.074	H4	C2	F8	110.074
Cl5	C1	Cl6	111.637	F7	C2	F8	107.713

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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