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	hartrees
Energy at 0K	-1191.192944
Energy at 298.15K	-1191.196357
HF Energy	-1190.957232
Nuclear repulsion energy	374.793367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3202	2.55
2	A'	3180	3180	20.30
3	A'	1462	1462	22.83
4	A'	1302	1302	0.54
5	A'	1120	1120	98.29
6	A'	1059	1059	22.25
7	A'	776	776	29.25
8	A'	541	541	9.52
9	A'	379	379	20.14
10	A'	346	346	10.32
11	A'	251	251	0.06
12	A"	1443	1443	12.88
13	A"	1284	1284	14.64
14	A"	1170	1170	87.48
15	A"	785	785	121.08
16	A"	392	392	3.29
17	A"	176	176	1.90
18	A"	80	80	1.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.221	0.000
C2	-0.373	1.097	0.000
H3	1.473	-0.033	0.000
H4	-1.443	0.909	0.000
Cl5	-0.004	-1.142	1.483
Cl6	-0.004	-1.142	-1.483
F7	-0.004	1.815	1.130
F8	-0.004	1.815	-1.130

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5294	1.0861	2.1644	1.7929	1.7929	2.3638	2.3638
C2	1.5294		2.1644	1.0861	2.7107	2.7107	1.3886	1.3886
H3	1.0861	2.1644		3.0642	2.3691	2.3691	2.6218	2.6218
H4	2.1644	1.0861	3.0642		2.9111	2.9111	2.0413	2.0413
Cl5	1.7929	2.7107	2.3691	2.9111		2.9664	2.9781	3.9460
Cl6	1.7929	2.7107	2.3691	2.9111	2.9664		3.9460	2.9781
F7	2.3638	1.3886	2.6218	2.0413	2.9781	3.9460		2.2593
F8	2.3638	1.3886	2.6218	2.0413	3.9460	2.9781	2.2593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.541	C1	C2	F7	108.111
C1	C2	F8	108.111	C2	C1	H3	110.541
C2	C1	Cl5	109.096	C2	C1	Cl6	109.096
H3	C1	Cl5	108.234	H3	C1	Cl6	108.234
H4	C2	F7	110.557	H4	C2	F8	110.557
Cl5	C1	Cl6	111.639	F7	C2	F8	108.886

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

using model chemistry: B2PLYP=FULL/3-21G*

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/3-21G*

States and conformations

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