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	hartrees
Energy at 0K	-1197.615314
Energy at 298.15K	-1197.618734
HF Energy	-1197.615314
Nuclear repulsion energy	376.075500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3043	19.48
2	A'	3134	3028	3.83
3	A'	1423	1375	34.17
4	A'	1268	1226	0.52
5	A'	1121	1083	146.48
6	A'	1066	1030	26.35
7	A'	782	756	36.18
8	A'	568	549	8.37
9	A'	395	382	16.84
10	A'	342	330	9.20
11	A'	250	241	0.31
12	A"	1387	1340	9.87
13	A"	1269	1226	19.93
14	A"	1109	1072	162.47
15	A"	779	753	162.98
16	A"	387	374	3.49
17	A"	180	174	1.42
18	A"	71	69	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.223	0.000
C2	-0.361	1.106	0.000
H3	1.477	-0.064	0.000
H4	-1.439	0.948	0.000
Cl5	-0.005	-1.148	1.481
Cl6	-0.005	-1.148	-1.481
F7	-0.005	1.824	1.096
F8	-0.005	1.824	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5317	1.0887	2.1797	1.7924	1.7924	2.3573	2.3573
C2	1.5317		2.1797	1.0887	2.7205	2.7205	1.3582	1.3582
H3	1.0887	2.1797		3.0866	2.3589	2.3589	2.6396	2.6396
H4	2.1797	1.0887	3.0866		2.9393	2.9393	2.0062	2.0062
Cl5	1.7924	2.7205	2.3589	2.9393		2.9611	2.9971	3.9340
Cl6	1.7924	2.7205	2.3589	2.9393	2.9611		3.9340	2.9971
F7	2.3573	1.3582	2.6396	2.0062	2.9971	3.9340		2.1929
F8	2.3573	1.3582	2.6396	2.0062	3.9340	2.9971	2.1929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.449	C1	C2	F7	109.169
C1	C2	F8	109.169	C2	C1	H3	111.449
C2	C1	Cl5	109.601	C2	C1	Cl6	109.601
H3	C1	Cl5	107.389	H3	C1	Cl6	107.389
H4	C2	F7	109.653	H4	C2	F8	109.653
Cl5	C1	Cl6	111.387	F7	C2	F8	107.666

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

using model chemistry: B3LYP/6-311G*

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	-0.478
2	C	0.361
3	H	0.317
4	H	0.218
5	Cl	0.006
6	Cl	0.006
7	F	-0.215
8	F	-0.215

	x	y	z	Total
	-0.073	-0.065	0.000	0.098
CHELPG
AIM
ESP

	x	y	z
x	4.607	0.140	0.000
y	0.140	6.167	0.000
z	0.000	0.000	8.295

<r²>	245.941
(<r²>)^1/2	15.682

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

using model chemistry: B3LYP/6-311G*

States and conformations

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