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	hartrees
Energy at 0K	-1195.637627
Energy at 298.15K	-1195.641226
HF Energy	-1194.729316
Nuclear repulsion energy	379.532350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3013	13.64
2	A'	3214	3003	10.52
3	A'	1473	1376	40.55
4	A'	1298	1213	0.65
5	A'	1181	1103	97.08
6	A'	1116	1043	39.76
7	A'	832	778	31.12
8	A'	574	536	7.18
9	A'	407	381	15.75
10	A'	355	332	11.73
11	A'	263	246	0.27
12	A"	1431	1337	17.92
13	A"	1314	1228	23.20
14	A"	1184	1106	132.89
15	A"	876	819	116.66
16	A"	410	383	0.87
17	A"	189	176	1.41
18	A"	85	80	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.229	0.000
C2	-0.361	1.089	0.000
H3	1.472	-0.054	0.000
H4	-1.434	0.913	0.000
Cl5	-0.005	-1.133	1.462
Cl6	-0.005	-1.133	-1.462
F7	-0.005	1.805	1.099
F8	-0.005	1.805	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5213	1.0868	2.1595	1.7658	1.7658	2.3475	2.3475
C2	1.5213		2.1595	1.0868	2.6832	2.6832	1.3597	1.3597
H3	1.0868	2.1595		3.0619	2.3415	2.3415	2.6164	2.6164
H4	2.1595	1.0868	3.0619		2.8923	2.8923	2.0111	2.0111
Cl5	1.7658	2.6832	2.3415	2.8923		2.9247	2.9603	3.8979
Cl6	1.7658	2.6832	2.3415	2.8923	2.9247		3.8979	2.9603
F7	2.3475	1.3597	2.6164	2.0111	2.9603	3.8979		2.1986
F8	2.3475	1.3597	2.6164	2.0111	3.8979	2.9603	2.1986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.687	C1	C2	F7	109.016
C1	C2	F8	109.016	C2	C1	H3	110.687
C2	C1	Cl5	109.204	C2	C1	Cl6	109.204
H3	C1	Cl5	107.961	H3	C1	Cl6	107.961
H4	C2	F7	110.080	H4	C2	F8	110.080
Cl5	C1	Cl6	111.820	F7	C2	F8	107.902

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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