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	hartrees
Energy at 0K	-1197.478324
Energy at 298.15K	-1197.481753
HF Energy	-1197.478324
Nuclear repulsion energy	376.063202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3019	11.04
2	A'	3130	3007	13.44
3	A'	1419	1364	35.10
4	A'	1260	1211	1.27
5	A'	1134	1090	127.94
6	A'	1076	1034	16.56
7	A'	786	755	35.50
8	A'	564	542	8.23
9	A'	393	378	15.66
10	A'	343	329	9.60
11	A'	249	239	0.43
12	A"	1397	1342	13.98
13	A"	1255	1205	21.00
14	A"	1149	1103	141.85
15	A"	791	760	149.74
16	A"	390	374	3.18
17	A"	180	173	1.22
18	A"	74	72	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	-0.222	0.000
C2	-0.365	1.109	0.000
H3	1.477	-0.056	0.000
H4	-1.444	0.942	0.000
Cl5	-0.004	-1.146	1.483
Cl6	-0.004	-1.146	-1.483
F7	-0.004	1.820	1.099
F8	-0.004	1.820	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5342	1.0917	2.1794	1.7925	1.7925	2.3538	2.3538
C2	1.5342		2.1794	1.0917	2.7222	2.7222	1.3580	1.3580
H3	1.0917	2.1794		3.0870	2.3623	2.3623	2.6310	2.6310
H4	2.1794	1.0917	3.0870		2.9379	2.9379	2.0125	2.0125
Cl5	1.7925	2.7222	2.3623	2.9379		2.9654	2.9901	3.9320
Cl6	1.7925	2.7222	2.3623	2.9379	2.9654		3.9320	2.9901
F7	2.3538	1.3580	2.6310	2.0125	2.9901	3.9320		2.1986
F8	2.3538	1.3580	2.6310	2.0125	3.9320	2.9901	2.1986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.070	C1	C2	F7	108.799
C1	C2	F8	108.799	C2	C1	H3	111.070
C2	C1	Cl5	109.586	C2	C1	Cl6	109.586
H3	C1	Cl5	107.477	H3	C1	Cl6	107.477
H4	C2	F7	110.004	H4	C2	F8	110.004
Cl5	C1	Cl6	111.621	F7	C2	F8	108.099

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

using model chemistry: B3LYP/6-31G**

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	-0.348
2	C	0.539
3	H	0.217
4	H	0.118
5	Cl	0.007
6	Cl	0.007
7	F	-0.270
8	F	-0.270

	x	y	z	Total
	0.028	0.121	0.000	0.124
CHELPG
AIM
ESP

	x	y	z
x	4.626	0.147	0.000
y	0.147	6.051	0.000
z	0.000	0.000	7.832

<r²>	245.049
(<r²>)^1/2	15.654

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

using model chemistry: B3LYP/6-31G**

States and conformations

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