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	hartrees
Energy at 0K	-1197.149958
Energy at 298.15K
HF Energy	-1196.794829
Nuclear repulsion energy	377.123801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	10.88
2	A'	3159	3159	5.09
3	A'	1434	1434	33.01
4	A'	1276	1276	0.73
5	A'	1136	1136	124.46
6	A'	1077	1077	36.62
7	A'	797	797	32.13
8	A'	576	576	7.45
9	A'	402	402	18.40
10	A'	345	345	9.99
11	A'	250	250	0.25
12	A"	1393	1393	7.20
13	A"	1264	1264	18.29
14	A"	1110	1110	171.79
15	A"	813	813	132.82
16	A"	396	396	1.82
17	A"	182	182	1.45
18	A"	76	76	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.226	0.000
C2	-0.357	1.095	0.000
H3	1.482	-0.063	0.000
H4	-1.430	0.932	0.000
Cl5	-0.007	-1.142	1.478
Cl6	-0.007	-1.142	-1.478
F7	-0.007	1.819	1.094
F8	-0.007	1.819	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5262	1.0859	2.1725	1.7872	1.7872	2.3566	2.3566
C2	1.5262		2.1725	1.0859	2.7032	2.7032	1.3580	1.3580
H3	1.0859	2.1725		3.0772	2.3585	2.3585	2.6378	2.6378
H4	2.1725	1.0859	3.0772		2.9170	2.9170	2.0025	2.0025
Cl5	1.7872	2.7032	2.3585	2.9170		2.9550	2.9862	3.9220
Cl6	1.7872	2.7032	2.3585	2.9170	2.9550		3.9220	2.9862
F7	2.3566	1.3580	2.6378	2.0025	2.9862	3.9220		2.1876
F8	2.3566	1.3580	2.6378	2.0025	3.9220	2.9862	2.1876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.441	C1	C2	F7	109.452
C1	C2	F8	109.452	C2	C1	H3	111.441
C2	C1	Cl5	109.094	C2	C1	Cl6	109.094
H3	C1	Cl5	107.846	H3	C1	Cl6	107.846
H4	C2	F7	109.546	H4	C2	F8	109.546
Cl5	C1	Cl6	111.530	F7	C2	F8	107.311

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

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

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