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	hartrees
Energy at 0K	-1196.933066
Energy at 298.15K	-1196.936558
HF Energy	-1196.933066
Nuclear repulsion energy	379.031353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3015	9.21
2	A'	3156	3002	16.40
3	A'	1438	1367	40.76
4	A'	1274	1212	1.08
5	A'	1161	1105	123.78
6	A'	1098	1044	18.62
7	A'	811	771	34.95
8	A'	575	547	7.92
9	A'	401	381	14.74
10	A'	348	331	10.97
11	A'	254	242	0.45
12	A"	1412	1343	19.19
13	A"	1280	1217	20.99
14	A"	1184	1126	142.29
15	A"	832	792	145.58
16	A"	400	380	2.08
17	A"	181	172	1.24
18	A"	77	73	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	-0.227	0.000
C2	-0.361	1.100	0.000
H3	1.477	-0.056	0.000
H4	-1.440	0.930	0.000
Cl5	-0.005	-1.136	1.468
Cl6	-0.005	-1.136	-1.468
F7	-0.005	1.806	1.094
F8	-0.005	1.806	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5286	1.0925	2.1713	1.7730	1.7730	2.3430	2.3430
C2	1.5286		2.1713	1.0925	2.6986	2.6986	1.3494	1.3494
H3	1.0925	2.1713		3.0788	2.3486	2.3486	2.6187	2.6187
H4	2.1713	1.0925	3.0788		2.9123	2.9123	2.0060	2.0060
Cl5	1.7730	2.6986	2.3486	2.9123		2.9362	2.9656	3.9008
Cl6	1.7730	2.6986	2.3486	2.9123	2.9362		3.9008	2.9656
F7	2.3430	1.3494	2.6187	2.0060	2.9656	3.9008		2.1870
F8	2.3430	1.3494	2.6187	2.0060	3.9008	2.9656	2.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.770	C1	C2	F7	108.844
C1	C2	F8	108.844	C2	C1	H3	110.770
C2	C1	Cl5	109.418	C2	C1	Cl6	109.418
H3	C1	Cl5	107.714	H3	C1	Cl6	107.714
H4	C2	F7	110.031	H4	C2	F8	110.031
Cl5	C1	Cl6	111.791	F7	C2	F8	108.267

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

using model chemistry: HSEh1PBE/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	-0.462
2	C	0.477
3	H	0.283
4	H	0.180
5	Cl	0.028
6	Cl	0.028
7	F	-0.267
8	F	-0.267

	x	y	z	Total
	0.038	0.119	0.000	0.125
CHELPG
AIM
ESP

	x	y	z
x	4.599	0.144	0.000
y	0.144	5.942	0.000
z	0.000	0.000	7.649

<r²>	241.461
(<r²>)^1/2	15.539

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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