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	hartrees
Energy at 0K	-1197.465517
Energy at 298.15K	-1197.469055
HF Energy	-1197.465517
Nuclear repulsion energy	379.546544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	12.40
2	A'	3148	3148	4.14
3	A'	1437	1437	47.48
4	A'	1271	1271	1.87
5	A'	1165	1165	144.40
6	A'	1097	1097	24.86
7	A'	810	810	33.76
8	A'	584	584	9.17
9	A'	405	405	15.11
10	A'	343	343	12.74
11	A'	252	252	0.41
12	A"	1399	1399	16.14
13	A"	1271	1271	17.81
14	A"	1180	1180	161.72
15	A"	841	841	145.37
16	A"	406	406	1.90
17	A"	183	183	1.61
18	A"	75	75	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.225	0.000
C2	-0.361	1.094	0.000
H3	1.481	-0.055	0.000
H4	-1.436	0.923	0.000
Cl5	-0.006	-1.135	1.465
Cl6	-0.006	-1.135	-1.465
F7	-0.006	1.806	1.088
F8	-0.006	1.806	-1.088

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5255	1.0891	2.1704	1.7730	1.7730	2.3409	2.3409
C2	1.5255		2.1704	1.0891	2.6908	2.6908	1.3481	1.3481
H3	1.0891	2.1704		3.0767	2.3504	2.3504	2.6187	2.6187
H4	2.1704	1.0891	3.0767		2.9033	2.9033	2.0023	2.0023
Cl5	1.7730	2.6908	2.3504	2.9033		2.9305	2.9649	3.8948
Cl6	1.7730	2.6908	2.3504	2.9033	2.9305		3.8948	2.9649
F7	2.3409	1.3481	2.6187	2.0023	2.9649	3.8948		2.1768
F8	2.3409	1.3481	2.6187	2.0023	3.8948	2.9649	2.1768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.127	C1	C2	F7	108.948
C1	C2	F8	108.948	C2	C1	H3	111.127
C2	C1	Cl5	109.102	C2	C1	Cl6	109.102
H3	C1	Cl5	108.022	H3	C1	Cl6	108.022
H4	C2	F7	110.029	H4	C2	F8	110.029
Cl5	C1	Cl6	111.473	F7	C2	F8	107.681

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

using model chemistry: M06-2X/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	-0.441
2	C	0.439
3	H	0.259
4	H	0.153
5	Cl	0.019
6	Cl	0.019
7	F	-0.224
8	F	-0.224

	x	y	z	Total
	-0.092	-0.141	0.000	0.169
CHELPG
AIM
ESP

	x	y	z
x	4.568	0.161	0.000
y	0.161	6.016	0.000
z	0.000	0.000	8.121

<r²>	241.657
(<r²>)^1/2	15.545

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

using model chemistry: M06-2X/6-311G**

States and conformations

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