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	hartrees
Energy at 0K	-1197.585528
Energy at 298.15K	-1197.588761
HF Energy	-1197.585528
Nuclear repulsion energy	372.549540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	3041	11.28
2	A'	3037	3028	6.65
3	A'	1349	1345	21.45
4	A'	1211	1208	0.76
5	A'	1055	1052	125.11
6	A'	1014	1011	23.36
7	A'	739	737	32.08
8	A'	541	539	6.50
9	A'	376	375	15.18
10	A'	325	324	7.18
11	A'	234	234	0.25
12	A"	1309	1305	3.54
13	A"	1187	1183	14.48
14	A"	1019	1015	157.46
15	A"	717	715	145.38
16	A"	365	364	4.17
17	A"	172	172	0.88
18	A"	67	67	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.223	0.000
C2	-0.365	1.109	0.000
H3	1.489	-0.068	0.000
H4	-1.447	0.954	0.000
Cl5	-0.006	-1.157	1.495
Cl6	-0.006	-1.157	-1.495
F7	-0.006	1.841	1.109
F8	-0.006	1.841	-1.109

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5400	1.0931	2.1958	1.8101	1.8101	2.3797	2.3797
C2	1.5400		2.1958	1.0931	2.7388	2.7388	1.3769	1.3769
H3	1.0931	2.1958		3.1083	2.3778	2.3778	2.6659	2.6659
H4	2.1958	1.0931	3.1083		2.9611	2.9611	2.0241	2.0241
Cl5	1.8101	2.7388	2.3778	2.9611		2.9896	3.0232	3.9715
Cl6	1.8101	2.7388	2.3778	2.9611	2.9896		3.9715	3.0232
F7	2.3797	1.3769	2.6659	2.0241	3.0232	3.9715		2.2187
F8	2.3797	1.3769	2.6659	2.0241	3.9715	3.0232	2.2187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.890	C1	C2	F7	109.215
C1	C2	F8	109.215	C2	C1	H3	111.890
C2	C1	Cl5	109.411	C2	C1	Cl6	109.411
H3	C1	Cl5	107.389	H3	C1	Cl6	107.389
H4	C2	F7	109.528	H4	C2	F8	109.528
Cl5	C1	Cl6	111.342	F7	C2	F8	107.355

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

using model chemistry: BLYP/cc-pVTZ

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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Number	Element	Mulliken
1	C	-0.038
2	C	0.368
3	H	0.147
4	H	0.053
5	Cl	-0.087
6	Cl	-0.087
7	F	-0.178
8	F	-0.178

	x	y	z	Total
	-0.044	-0.238	0.000	0.242
CHELPG
AIM
ESP

	x	y	z
x	5.759	0.068	0.000
y	0.068	7.482	0.000
z	0.000	0.000	9.307

<r²>	249.558
(<r²>)^1/2	15.797

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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