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	hartrees
Energy at 0K	-1181.199864
Energy at 298.15K	-1181.203175
HF Energy	-1181.199864
Nuclear repulsion energy	370.545160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3614	2951	0.76
2	A'	3587	2929	4.98
3	A'	1611	1316	18.11
4	A'	1415	1155	32.67
5	A'	1297	1059	29.73
6	A'	1196	976	5.33
7	A'	913	746	32.89
8	A'	584	477	11.94
9	A'	420	343	14.11
10	A'	360	294	14.81
11	A'	250	204	2.40
12	A"	1609	1314	11.51
13	A"	1455	1188	40.11
14	A"	1385	1131	10.23
15	A"	1058	864	83.96
16	A"	425	347	0.72
17	A"	162	132	0.86
18	A"	50	41	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.240	0.000
C2	-0.369	1.139	0.000
H3	1.491	-0.058	0.000
H4	-1.456	0.957	0.000
Cl5	-0.005	-1.168	1.497
Cl6	-0.005	-1.168	-1.497
F7	-0.005	1.856	1.116
F8	-0.005	1.856	-1.116

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5802	1.1025	2.2117	1.8077	1.8077	2.4088	2.4088
C2	1.5802		2.2117	1.1025	2.7735	2.7735	1.3753	1.3753
H3	1.1025	2.2117		3.1172	2.3892	2.3892	2.6729	2.6729
H4	2.2117	1.1025	3.1172		2.9769	2.9769	2.0395	2.0395
Cl5	1.8077	2.7735	2.3892	2.9769		2.9935	3.0473	3.9957
Cl6	1.8077	2.7735	2.3892	2.9769	2.9935		3.9957	3.0473
F7	2.4088	1.3753	2.6729	2.0395	3.0473	3.9957		2.2314
F8	2.4088	1.3753	2.6729	2.0395	3.9957	3.0473	2.2314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.777	C1	C2	F7	108.986
C1	C2	F8	108.986	C2	C1	H3	109.777
C2	C1	Cl5	109.719	C2	C1	Cl6	109.719
H3	C1	Cl5	107.897	H3	C1	Cl6	107.897
H4	C2	F7	110.311	H4	C2	F8	110.311
Cl5	C1	Cl6	111.783	F7	C2	F8	108.432

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

using model chemistry: HF/STO-3G

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	0.022
2	C	0.250
3	H	0.133
4	H	0.090
5	Cl	-0.115
6	Cl	-0.115
7	F	-0.133
8	F	-0.133

	x	y	z	Total
	0.269	1.103	0.000	1.136
CHELPG
AIM
ESP

	x	y	z
x	1.791	0.305	0.000
y	0.305	2.846	0.000
z	0.000	0.000	4.460

<r²>	250.474
(<r²>)^1/2	15.826

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

using model chemistry: HF/STO-3G

States and conformations

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