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	hartrees
Energy at 0K	-1196.935600
Energy at 298.15K	-1196.939101
HF Energy	-1196.935600
Nuclear repulsion energy	379.034688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3012	9.09
2	A'	3143	2999	15.28
3	A'	1428	1363	40.63
4	A'	1265	1207	1.74
5	A'	1158	1105	122.01
6	A'	1096	1046	17.75
7	A'	809	772	34.91
8	A'	575	548	7.89
9	A'	400	382	14.26
10	A'	347	331	11.43
11	A'	254	243	0.45
12	A"	1402	1338	17.81
13	A"	1264	1206	18.58
14	A"	1184	1130	143.25
15	A"	832	794	144.98
16	A"	400	381	2.08
17	A"	181	172	1.24
18	A"	76	73	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	-0.227	0.000
C2	-0.362	1.100	0.000
H3	1.476	-0.055	0.000
H4	-1.441	0.929	0.000
Cl5	-0.005	-1.136	1.468
Cl6	-0.005	-1.136	-1.468
F7	-0.005	1.806	1.093
F8	-0.005	1.806	-1.093

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5284	1.0928	2.1711	1.7729	1.7729	2.3425	2.3425
C2	1.5284		2.1711	1.0928	2.6988	2.6988	1.3495	1.3495
H3	1.0928	2.1711		3.0789	2.3485	2.3485	2.6176	2.6176
H4	2.1711	1.0928	3.0789		2.9126	2.9126	2.0072	2.0072
Cl5	1.7729	2.6988	2.3485	2.9126		2.9360	2.9657	3.9007
Cl6	1.7729	2.6988	2.3485	2.9126	2.9360		3.9007	2.9657
F7	2.3425	1.3495	2.6176	2.0072	2.9657	3.9007		2.1867
F8	2.3425	1.3495	2.6176	2.0072	3.9007	2.9657	2.1867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.747	C1	C2	F7	108.814
C1	C2	F8	108.814	C2	C1	H3	110.747
C2	C1	Cl5	109.446	C2	C1	Cl6	109.446
H3	C1	Cl5	107.697	H3	C1	Cl6	107.697
H4	C2	F7	110.090	H4	C2	F8	110.090
Cl5	C1	Cl6	111.791	F7	C2	F8	108.229

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	-0.425
2	C	0.524
3	H	0.247
4	H	0.140
5	Cl	0.027
6	Cl	0.027
7	F	-0.270
8	F	-0.270

	x	y	z	Total
	0.033	0.117	0.000	0.121
CHELPG
AIM
ESP

	x	y	z
x	4.626	0.141	0.000
y	0.141	5.969	0.000
z	0.000	0.000	7.668

<r²>	241.451
(<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)