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	hartrees
Energy at 0K	-89.105162
Energy at 298.15K	-89.108760
HF Energy	-89.105162
Nuclear repulsion energy	134.726970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3071	8.09
2	A'	3349	3056	2.06
3	A'	1539	1404	30.79
4	A'	1365	1246	3.89
5	A'	1232	1124	90.96
6	A'	1109	1012	83.36
7	A'	816	745	49.38
8	A'	566	516	14.46
9	A'	407	371	35.21
10	A'	355	324	18.60
11	A'	258	235	0.39
12	A"	1467	1339	9.16
13	A"	1349	1231	22.83
14	A"	1172	1069	157.06
15	A"	847	773	142.83
16	A"	408	372	1.47
17	A"	187	171	3.03
18	A"	74	67	1.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.416	-0.211	0.000
C2	-0.369	1.103	0.000
H3	1.481	-0.062	0.000
H4	-1.434	0.954	0.000
Cl5	-0.006	-1.165	1.506
Cl6	-0.006	-1.165	-1.506
F7	-0.006	1.853	1.109
F8	-0.006	1.853	-1.109

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5307	1.0753	2.1858	1.8315	1.8315	2.3813	2.3813
C2	1.5307		2.1858	1.0753	2.7462	2.7462	1.3873	1.3873
H3	1.0753	2.1858		3.0863	2.3864	2.3864	2.6662	2.6662
H4	2.1858	1.0753	3.0863		2.9651	2.9651	2.0193	2.0193
Cl5	1.8315	2.7462	2.3864	2.9651		3.0110	3.0441	3.9932
Cl6	1.8315	2.7462	2.3864	2.9651	3.0110		3.9932	3.0441
F7	2.3813	1.3873	2.6662	2.0193	3.0441	3.9932		2.2182
F8	2.3813	1.3873	2.6662	2.0193	3.9932	3.0441	2.2182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.851	C1	C2	F7	109.289
C1	C2	F8	109.289	C2	C1	H3	112.851
C2	C1	Cl5	109.199	C2	C1	Cl6	109.199
H3	C1	Cl5	107.500	H3	C1	Cl6	107.500
H4	C2	F7	109.515	H4	C2	F8	109.515
Cl5	C1	Cl6	110.577	F7	C2	F8	106.161

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

using model chemistry: HF/CEP-121G

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	-0.528
2	C	0.479
3	H	0.279
4	H	0.186
5	Cl	0.070
6	Cl	0.070
7	F	-0.278
8	F	-0.278

	x	y	z	Total
	-0.219	-0.617	0.000	0.655
CHELPG
AIM
ESP

	x	y	z
x	3.960	0.353	0.000
y	0.353	5.530	0.000
z	0.000	0.000	8.078

<r²>	158.423
(<r²>)^1/2	12.587

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

using model chemistry: HF/CEP-121G

States and conformations

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