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	hartrees
Energy at 0K	-1197.124850
Energy at 298.15K	-1197.128355
HF Energy	-1196.761828
Nuclear repulsion energy	377.761227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	19.33
2	A'	3165	3165	3.42
3	A'	1447	1447	36.77
4	A'	1283	1283	0.26
5	A'	1144	1144	132.03
6	A'	1086	1086	36.58
7	A'	802	802	34.67
8	A'	576	576	8.06
9	A'	403	403	16.93
10	A'	348	348	9.79
11	A'	256	256	0.29
12	A"	1406	1406	11.22
13	A"	1290	1290	20.29
14	A"	1133	1133	159.56
15	A"	816	816	149.74
16	A"	397	397	2.19
17	A"	184	184	1.51
18	A"	76	76	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.225	0.000
C2	-0.359	1.099	0.000
H3	1.477	-0.062	0.000
H4	-1.434	0.936	0.000
Cl5	-0.006	-1.141	1.473
Cl6	-0.006	-1.141	-1.473
F7	-0.006	1.816	1.094
F8	-0.006	1.816	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5271	1.0875	2.1724	1.7817	1.7817	2.3517	2.3517
C2	1.5271		2.1724	1.0875	2.7040	2.7040	1.3551	1.3551
H3	1.0875	2.1724		3.0776	2.3524	2.3524	2.6315	2.6315
H4	2.1724	1.0875	3.0776		2.9193	2.9193	2.0030	2.0030
Cl5	1.7817	2.7040	2.3524	2.9193		2.9450	2.9817	3.9160
Cl6	1.7817	2.7040	2.3524	2.9193	2.9450		3.9160	2.9817
F7	2.3517	1.3551	2.6315	2.0030	2.9817	3.9160		2.1882
F8	2.3517	1.3551	2.6315	2.0030	3.9160	2.9817	2.1882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.260	C1	C2	F7	109.218
C1	C2	F8	109.218	C2	C1	H3	111.260
C2	C1	Cl5	109.373	C2	C1	Cl6	109.373
H3	C1	Cl5	107.675	H3	C1	Cl6	107.675
H4	C2	F7	109.692	H4	C2	F8	109.692
Cl5	C1	Cl6	111.478	F7	C2	F8	107.686

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

using model chemistry: B2PLYP=FULL/6-311G*

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/6-311G*

States and conformations

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