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	hartrees
Energy at 0K	-1197.521051
Energy at 298.15K	-1197.524600
HF Energy	-1197.521051
Nuclear repulsion energy	380.333505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3029	11.79
2	A'	3141	3000	4.76
3	A'	1433	1369	42.20
4	A'	1271	1214	3.89
5	A'	1166	1114	124.68
6	A'	1096	1046	22.30
7	A'	810	774	29.44
8	A'	586	560	7.93
9	A'	405	386	14.50
10	A'	341	326	11.18
11	A'	247	236	0.24
12	A"	1383	1321	12.35
13	A"	1245	1189	13.51
14	A"	1175	1123	160.62
15	A"	845	807	121.82
16	A"	407	388	1.42
17	A"	182	174	1.23
18	A"	84	80	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	-0.227	0.000
C2	-0.358	1.088	0.000
H3	1.483	-0.056	0.000
H4	-1.432	0.916	0.000
Cl5	-0.007	-1.132	1.461
Cl6	-0.007	-1.132	-1.461
F7	-0.007	1.803	1.086
F8	-0.007	1.803	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5224	1.0878	2.1673	1.7682	1.7682	2.3402	2.3402
C2	1.5224		2.1673	1.0878	2.6808	2.6808	1.3475	1.3475
H3	1.0878	2.1673		3.0730	2.3478	2.3478	2.6183	2.6183
H4	2.1673	1.0878	3.0730		2.8919	2.8919	1.9998	1.9998
Cl5	1.7682	2.6808	2.3478	2.8919		2.9226	2.9592	3.8868
Cl6	1.7682	2.6808	2.3478	2.8919	2.9226		3.8868	2.9592
F7	2.3402	1.3475	2.6183	1.9998	2.9592	3.8868		2.1728
F8	2.3402	1.3475	2.6183	1.9998	3.8868	2.9592	2.1728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.172	C1	C2	F7	109.110
C1	C2	F8	109.110	C2	C1	H3	111.172
C2	C1	Cl5	108.885	C2	C1	Cl6	108.885
H3	C1	Cl5	108.220	H3	C1	Cl6	108.220
H4	C2	F7	109.953	H4	C2	F8	109.953
Cl5	C1	Cl6	111.472	F7	C2	F8	107.460

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

using model chemistry: M06-2X/cc-pVTZ

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	-0.142
2	C	0.314
3	H	0.205
4	H	0.110
5	Cl	-0.062
6	Cl	-0.062
7	F	-0.182
8	F	-0.182

	x	y	z	Total
	-0.064	-0.330	0.000	0.336
CHELPG
AIM
ESP

	x	y	z
x	5.530	0.118	0.000
y	0.118	6.932	0.000
z	0.000	0.000	8.681

<r²>	240.261
(<r²>)^1/2	15.500

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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