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	hartrees
Energy at 0K	-1197.039089
Energy at 298.15K
HF Energy	-1196.657292
Nuclear repulsion energy	379.339179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3154	8.85
2	A'	3141	3141	12.06
3	A'	1428	1428	35.21
4	A'	1266	1266	2.00
5	A'	1153	1153	112.33
6	A'	1089	1089	17.26
7	A'	804	804	29.71
8	A'	580	580	7.40
9	A'	400	400	13.01
10	A'	343	343	9.27
11	A'	250	250	0.25
12	A"	1401	1401	10.39
13	A"	1249	1249	19.06
14	A"	1167	1167	138.19
15	A"	828	828	128.16
16	A"	400	400	1.77
17	A"	181	181	0.99
18	A"	76	76	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.403	-0.226	0.000
C2	-0.360	1.100	0.000
H3	1.478	-0.054	0.000
H4	-1.436	0.928	0.000
Cl5	-0.006	-1.135	1.468
Cl6	-0.006	-1.135	-1.468
F7	-0.006	1.805	1.089
F8	-0.006	1.805	-1.089

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5290	1.0896	2.1704	1.7746	1.7746	2.3400	2.3400
C2	1.5290		2.1704	1.0896	2.6973	2.6973	1.3451	1.3451
H3	1.0896	2.1704		3.0753	2.3511	2.3511	2.6159	2.6159
H4	2.1704	1.0896	3.0753		2.9081	2.9081	2.0004	2.0004
Cl5	1.7746	2.6973	2.3511	2.9081		2.9359	2.9644	3.8966
Cl6	1.7746	2.6973	2.3511	2.9081	2.9359		3.8966	2.9644
F7	2.3400	1.3451	2.6159	2.0004	2.9644	3.8966		2.1785
F8	2.3400	1.3451	2.6159	2.0004	3.8966	2.9644	2.1785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.842	C1	C2	F7	108.841
C1	C2	F8	108.841	C2	C1	H3	110.842
C2	C1	Cl5	109.243	C2	C1	Cl6	109.243
H3	C1	Cl5	107.942	H3	C1	Cl6	107.942
H4	C2	F7	110.054	H4	C2	F8	110.054
Cl5	C1	Cl6	111.625	F7	C2	F8	108.149

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

using model chemistry: B2PLYP=FULLultrafine/6-31G(2df,p)

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: B2PLYP=FULLultrafine/6-31G(2df,p)

States and conformations

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