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	hartrees
Energy at 0K	-1194.917550
Energy at 298.15K	-1194.921329
HF Energy	-1194.917550
Nuclear repulsion energy	381.339025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3011	12.60
2	A'	3291	2996	5.79
3	A'	1561	1421	45.43
4	A'	1378	1255	3.95
5	A'	1245	1134	151.42
6	A'	1163	1059	23.61
7	A'	859	782	38.74
8	A'	631	574	10.28
9	A'	432	393	18.77
10	A'	369	336	9.77
11	A'	268	244	0.25
12	A"	1508	1372	11.48
13	A"	1357	1236	21.61
14	A"	1257	1144	181.03
15	A"	897	816	139.59
16	A"	431	393	1.58
17	A"	195	177	1.05
18	A"	85	78	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.222	0.000
C2	-0.355	1.100	0.000
H3	1.466	-0.062	0.000
H4	-1.419	0.940	0.000
Cl5	-0.006	-1.137	1.457
Cl6	-0.006	-1.137	-1.457
F7	-0.006	1.807	1.069
F8	-0.006	1.807	-1.069

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5238	1.0762	2.1602	1.7686	1.7686	2.3301	2.3301
C2	1.5238		2.1602	1.0762	2.6931	2.6931	1.3283	1.3283
H3	1.0762	2.1602		3.0540	2.3343	2.3343	2.6087	2.6087
H4	2.1602	1.0762	3.0540		2.9042	2.9042	1.9725	1.9725
Cl5	1.7686	2.6931	2.3343	2.9042		2.9147	2.9701	3.8800
Cl6	1.7686	2.6931	2.3343	2.9042	2.9147		3.8800	2.9701
F7	2.3301	1.3283	2.6087	1.9725	2.9701	3.8800		2.1385
F8	2.3301	1.3283	2.6087	1.9725	3.8800	2.9701	2.1385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.203	C1	C2	F7	109.372
C1	C2	F8	109.372	C2	C1	H3	111.203
C2	C1	Cl5	109.538	C2	C1	Cl6	109.538
H3	C1	Cl5	107.783	H3	C1	Cl6	107.783
H4	C2	F7	109.797	H4	C2	F8	109.797
Cl5	C1	Cl6	110.978	F7	C2	F8	107.212

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

using model chemistry: HF/aug-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	0.139
2	C	0.590
3	H	0.258
4	H	0.424
5	Cl	-0.286
6	Cl	-0.286
7	F	-0.420
8	F	-0.420

	x	y	z	Total
	-0.079	-0.283	0.000	0.294
CHELPG
AIM
ESP

	x	y	z
x	6.368	0.086	0.000
y	0.086	7.624	0.000
z	0.000	0.000	8.996

<r²>	240.226
(<r²>)^1/2	15.499

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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