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	hartrees
Energy at 0K	-1196.957822
Energy at 298.15K	-1196.961305
HF Energy	-1196.653244
Nuclear repulsion energy	377.131128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3036	8.88
2	A'	3180	3024	5.17
3	A'	1430	1360	32.76
4	A'	1272	1209	0.50
5	A'	1141	1085	107.35
6	A'	1077	1024	46.65
7	A'	800	761	34.19
8	A'	563	535	7.15
9	A'	400	380	18.81
10	A'	349	332	10.00
11	A'	253	240	0.26
12	A"	1375	1308	8.05
13	A"	1273	1211	19.90
14	A"	1111	1057	174.66
15	A"	819	779	136.54
16	A"	396	377	1.52
17	A"	182	173	1.29
18	A"	79	75	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.228	0.000
C2	-0.361	1.092	0.000
H3	1.483	-0.067	0.000
H4	-1.437	0.930	0.000
Cl5	-0.006	-1.141	1.473
Cl6	-0.006	-1.141	-1.473
F7	-0.006	1.820	1.099
F8	-0.006	1.820	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5274	1.0882	2.1777	1.7816	1.7816	2.3610	2.3610
C2	1.5274		2.1777	1.0882	2.6988	2.6988	1.3654	1.3654
H3	1.0882	2.1777		3.0854	2.3541	2.3541	2.6427	2.6427
H4	2.1777	1.0882	3.0854		2.9171	2.9171	2.0120	2.0120
Cl5	1.7816	2.6988	2.3541	2.9171		2.9466	2.9845	3.9225
Cl6	1.7816	2.6988	2.3541	2.9171	2.9466		3.9225	2.9845
F7	2.3610	1.3654	2.6427	2.0120	2.9845	3.9225		2.1988
F8	2.3610	1.3654	2.6427	2.0120	3.9225	2.9845	2.1988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.624	C1	C2	F7	109.274
C1	C2	F8	109.274	C2	C1	H3	111.624
C2	C1	Cl5	109.051	C2	C1	Cl6	109.051
H3	C1	Cl5	107.776	H3	C1	Cl6	107.776
H4	C2	F7	109.657	H4	C2	F8	109.657
Cl5	C1	Cl6	111.577	F7	C2	F8	107.252

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

using model chemistry: B2PLYP=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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