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	hartrees
Energy at 0K	-1190.909140
Energy at 298.15K	-1190.912445
HF Energy	-1190.732872
Nuclear repulsion energy	369.032849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3078	0.75
2	A'	3202	3048	20.29
3	A'	1460	1390	22.19
4	A'	1285	1224	0.61
5	A'	1120	1067	92.77
6	A'	1067	1016	25.59
7	A'	739	704	35.01
8	A'	534	509	11.34
9	A'	371	353	21.52
10	A'	322	307	10.46
11	A'	231	220	0.28
12	A"	1439	1370	10.09
13	A"	1223	1164	17.11
14	A"	1165	1109	86.92
15	A"	762	726	123.23
16	A"	383	364	3.05
17	A"	170	161	1.97
18	A"	76	73	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.418	-0.188	0.000
C2	-0.373	1.109	0.000
H3	1.487	-0.007	0.000
H4	-1.442	0.929	0.000
Cl5	-0.006	-1.159	1.529
Cl6	-0.006	-1.159	-1.529
F7	-0.006	1.830	1.130
F8	-0.006	1.830	-1.130

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5187	1.0843	2.1687	1.8602	1.8602	2.3513	2.3513
C2	1.5187		2.1687	1.0843	2.7595	2.7595	1.3898	1.3898
H3	1.0843	2.1687		3.0743	2.4275	2.4275	2.6232	2.6232
H4	2.1687	1.0843	3.0743		2.9588	2.9588	2.0375	2.0375
Cl5	1.8602	2.7595	2.4275	2.9588		3.0581	3.0151	4.0005
Cl6	1.8602	2.7595	2.4275	2.9588	3.0581		4.0005	3.0151
F7	2.3513	1.3898	2.6232	2.0375	3.0151	4.0005		2.2606
F8	2.3513	1.3898	2.6232	2.0375	4.0005	3.0151	2.2606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.764	C1	C2	F7	107.802
C1	C2	F8	107.802	C2	C1	H3	111.764
C2	C1	Cl5	109.095	C2	C1	Cl6	109.095
H3	C1	Cl5	108.157	H3	C1	Cl6	108.157
H4	C2	F7	110.268	H4	C2	F8	110.268
Cl5	C1	Cl6	110.573	F7	C2	F8	108.838

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)