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	hartrees
Energy at 0K	-1196.915058
Energy at 298.15K	-1196.918553
HF Energy	-1196.632385
Nuclear repulsion energy	377.563795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3028	11.00
2	A'	3179	3017	13.00
3	A'	1452	1378	37.33
4	A'	1285	1219	1.06
5	A'	1155	1097	115.30
6	A'	1098	1042	27.52
7	A'	806	766	34.63
8	A'	569	540	7.93
9	A'	400	380	16.64
10	A'	350	332	10.09
11	A'	254	242	0.36
12	A"	1421	1349	16.03
13	A"	1293	1227	23.63
14	A"	1164	1105	138.87
15	A"	826	784	138.52
16	A"	399	379	2.00
17	A"	184	174	1.33
18	A"	80	76	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.225	0.000
C2	-0.363	1.100	0.000
H3	1.476	-0.056	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		1.5286	1.0895	2.1723	1.7819	1.7819	2.3501	2.3501
C2	1.5286		2.1723	1.0895	2.7054	2.7054	1.3580	1.3580
H3	1.0895	2.1723		3.0781	2.3543	2.3543	2.6255	2.6255
H4	2.1723	1.0895	3.0781		2.9190	2.9190	2.0107	2.0107
Cl5	1.7819	2.7054	2.3543	2.9190		2.9482	2.9768	3.9167
Cl6	1.7819	2.7054	2.3543	2.9190	2.9482		3.9167	2.9768
F7	2.3501	1.3580	2.6255	2.0107	2.9768	3.9167		2.1977
F8	2.3501	1.3580	2.6255	2.0107	3.9167	2.9768	2.1977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.030	C1	C2	F7	108.862
C1	C2	F8	108.862	C2	C1	H3	111.030
C2	C1	Cl5	109.376	C2	C1	Cl6	109.376
H3	C1	Cl5	107.705	H3	C1	Cl6	107.705
H4	C2	F7	109.997	H4	C2	F8	109.997
Cl5	C1	Cl6	111.640	F7	C2	F8	108.028

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	-0.396
2	C	0.511
3	H	0.261
4	H	0.168
5	Cl	0.011
6	Cl	0.011
7	F	-0.283
8	F	-0.283

	x	y	z
x	4.549	0.166	0.000
y	0.166	5.893	0.000
z	0.000	0.000	7.647

<r²>	243.306
(<r²>)^1/2	15.598

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)