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	hartrees
Energy at 0K	-1197.439882
Energy at 298.15K	-1197.443072
HF Energy	-1197.439882
Nuclear repulsion energy	366.216519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3090	12.26
2	A'	3197	3073	1.13
3	A'	1389	1335	16.73
4	A'	1252	1203	1.45
5	A'	1120	1077	57.60
6	A'	1007	968	67.13
7	A'	741	712	35.86
8	A'	512	492	9.54
9	A'	368	354	26.10
10	A'	326	313	10.78
11	A'	234	225	0.21
12	A"	1337	1285	2.79
13	A"	1232	1184	8.05
14	A"	1020	980	140.57
15	A"	742	713	119.56
16	A"	367	353	2.50
17	A"	169	163	2.15
18	A"	66	64	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	-0.208	0.000
C2	-0.372	1.102	0.000
H3	1.501	-0.059	0.000
H4	-1.452	0.953	0.000
Cl5	-0.006	-1.173	1.527
Cl6	-0.006	-1.173	-1.527
F7	-0.006	1.868	1.134
F8	-0.006	1.868	-1.134

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5308	1.0902	2.2035	1.8558	1.8558	2.4033	2.4033
C2	1.5308		2.2035	1.0902	2.7635	2.7635	1.4163	1.4163
H3	1.0902	2.2035		3.1217	2.4171	2.4171	2.6962	2.6962
H4	2.2035	1.0902	3.1217		2.9898	2.9898	2.0525	2.0525
Cl5	1.8558	2.7635	2.4171	2.9898		3.0531	3.0659	4.0400
Cl6	1.8558	2.7635	2.4171	2.9898	3.0531		4.0400	3.0659
F7	2.4033	1.4163	2.6962	2.0525	3.0659	4.0400		2.2671
F8	2.4033	1.4163	2.6962	2.0525	4.0400	3.0659	2.2671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.359	C1	C2	F7	109.206
C1	C2	F8	109.206	C2	C1	H3	113.359
C2	C1	Cl5	108.997	C2	C1	Cl6	108.997
H3	C1	Cl5	107.396	H3	C1	Cl6	107.396
H4	C2	F7	109.253	H4	C2	F8	109.253
Cl5	C1	Cl6	110.690	F7	C2	F8	106.324

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

using model chemistry: B3LYP/SDD

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	-0.531
2	C	0.289
3	H	0.341
4	H	0.231
5	Cl	0.046
6	Cl	0.046
7	F	-0.211
8	F	-0.211

	x	y	z	Total
	-0.265	-0.725	0.000	0.772
CHELPG
AIM
ESP

<r²>	257.553
(<r²>)^1/2	16.048

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

using model chemistry: B3LYP/SDD

States and conformations

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