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	hartrees
Energy at 0K	-1196.921720
Energy at 298.15K	-1196.925225
HF Energy	-1196.635285
Nuclear repulsion energy	377.608404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3184	12.55
2	A'	3173	3173	11.38
3	A'	1446	1446	37.50
4	A'	1278	1278	1.07
5	A'	1154	1154	115.38
6	A'	1096	1096	26.27
7	A'	805	805	34.33
8	A'	569	569	7.91
9	A'	400	400	15.99
10	A'	349	349	10.47
11	A'	254	254	0.36
12	A"	1414	1414	15.37
13	A"	1281	1281	22.65
14	A"	1164	1164	138.74
15	A"	826	826	137.83
16	A"	399	399	1.99
17	A"	184	184	1.33
18	A"	79	79	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.225	0.000
C2	-0.363	1.100	0.000
H3	1.474	-0.055	0.000
H4	-1.439	0.931	0.000
Cl5	-0.005	-1.140	1.474
Cl6	-0.005	-1.140	-1.474
F7	-0.005	1.813	1.099
F8	-0.005	1.813	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5283	1.0888	2.1707	1.7815	1.7815	2.3497	2.3497
C2	1.5283		2.1707	1.0888	2.7055	2.7055	1.3579	1.3579
H3	1.0888	2.1707		3.0757	2.3532	2.3532	2.6238	2.6238
H4	2.1707	1.0888	3.0757		2.9185	2.9185	2.0106	2.0106
Cl5	1.7815	2.7055	2.3532	2.9185		2.9481	2.9768	3.9165
Cl6	1.7815	2.7055	2.3532	2.9185	2.9481		3.9165	2.9768
F7	2.3497	1.3579	2.6238	2.0106	2.9768	3.9165		2.1972
F8	2.3497	1.3579	2.6238	2.0106	3.9165	2.9768	2.1972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.969	C1	C2	F7	108.861
C1	C2	F8	108.861	C2	C1	H3	110.969
C2	C1	Cl5	109.416	C2	C1	Cl6	109.416
H3	C1	Cl5	107.681	H3	C1	Cl6	107.681
H4	C2	F7	110.039	H4	C2	F8	110.039
Cl5	C1	Cl6	111.667	F7	C2	F8	108.005

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

using model chemistry: B2PLYP/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	-0.355
2	C	0.562
3	H	0.219
4	H	0.123
5	Cl	0.011
6	Cl	0.011
7	F	-0.286
8	F	-0.286

	x	y	z	Total
	0.005	0.041	0.000	0.041
CHELPG
AIM
ESP

	x	y	z
x	4.568	0.163	0.000
y	0.163	5.918	0.000
z	0.000	0.000	7.665

<r²>	243.268
(<r²>)^1/2	15.597

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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