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	hartrees
Energy at 0K	-305.601212
Energy at 298.15K	-305.604415
HF Energy	-305.121149
Nuclear repulsion energy	202.895766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3216	3097	13.29
2	A'	3204	3086	1.97
3	A'	1414	1361	18.01
4	A'	1264	1218	4.05
5	A'	1127	1085	52.29
6	A'	984	948	71.00
7	A'	739	712	31.12
8	A'	499	480	8.50
9	A'	366	352	31.17
10	A'	328	316	10.03
11	A'	238	229	0.16
12	A"	1345	1296	4.78
13	A"	1250	1204	8.72
14	A"	997	961	129.99
15	A"	761	732	79.90
16	A"	368	354	0.74
17	A"	173	167	2.61
18	A"	71	69	1.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	-0.213	0.000
C2	-0.376	1.104	0.000
H3	1.511	-0.065	0.000
H4	-1.461	0.956	0.000
Cl5	-0.007	-1.182	1.534
Cl6	-0.007	-1.182	-1.534
F7	-0.007	1.886	1.149
F8	-0.007	1.886	-1.149

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5422	1.0953	2.2200	1.8654	1.8654	2.4316	2.4316
C2	1.5422		2.2200	1.0953	2.7778	2.7778	1.4378	1.4378
H3	1.0953	2.2200		3.1428	2.4304	2.4304	2.7256	2.7256
H4	2.2200	1.0953	3.1428		3.0064	3.0064	2.0738	2.0738
Cl5	1.8654	2.7778	2.4304	3.0064		3.0681	3.0923	4.0755
Cl6	1.8654	2.7778	2.4304	3.0064	3.0681		4.0755	3.0923
F7	2.4316	1.4378	2.7256	2.0738	3.0923	4.0755		2.2972
F8	2.4316	1.4378	2.7256	2.0738	4.0755	3.0923	2.2972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.562	C1	C2	F7	109.321
C1	C2	F8	109.321	C2	C1	H3	113.562
C2	C1	Cl5	108.838	C2	C1	Cl6	108.838
H3	C1	Cl5	107.477	H3	C1	Cl6	107.477
H4	C2	F7	109.163	H4	C2	F8	109.163
Cl5	C1	Cl6	110.644	F7	C2	F8	106.038

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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