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	hartrees
Energy at 0K	-1194.911616
Energy at 298.15K	-1194.915393
HF Energy	-1194.911616
Nuclear repulsion energy	381.711623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3004	5.39
2	A'	3283	2976	15.72
3	A'	1562	1416	49.38
4	A'	1380	1251	4.17
5	A'	1245	1128	152.85
6	A'	1162	1053	25.02
7	A'	863	782	40.11
8	A'	631	572	10.27
9	A'	432	392	18.77
10	A'	371	337	10.25
11	A'	269	244	0.26
12	A"	1514	1372	12.42
13	A"	1355	1228	20.67
14	A"	1258	1141	186.11
15	A"	904	819	139.04
16	A"	433	392	1.50
17	A"	196	178	1.19
18	A"	87	79	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	-0.224	0.000
C2	-0.359	1.099	0.000
H3	1.456	-0.044	0.000
H4	-1.429	0.965	0.000
Cl5	-0.005	-1.139	1.455
Cl6	-0.005	-1.139	-1.455
F7	-0.005	1.808	1.065
F8	-0.005	1.808	-1.065

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5238	1.0738	2.1791	1.7648	1.7648	2.3297	2.3297
C2	1.5238		2.1446	1.0780	2.6924	2.6924	1.3281	1.3281
H3	1.0738	2.1446		3.0559	2.3342	2.3342	2.5883	2.5883
H4	2.1791	1.0780	3.0559		2.9276	2.9276	1.9680	1.9680
Cl5	1.7648	2.6924	2.3342	2.9276		2.9090	2.9730	3.8777
Cl6	1.7648	2.6924	2.3342	2.9276	2.9090		3.8777	2.9730
F7	2.3297	1.3281	2.5883	1.9680	2.9730	3.8777		2.1307
F8	2.3297	1.3281	2.5883	1.9680	3.8777	2.9730	2.1307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.638	C1	C2	F7	109.359
C1	C2	F8	109.359	C2	C1	H3	110.097
C2	C1	Cl5	109.694	C2	C1	Cl6	109.694
H3	C1	Cl5	108.159	H3	C1	Cl6	108.159
H4	C2	F7	109.317	H4	C2	F8	109.317
Cl5	C1	Cl6	111.008	F7	C2	F8	106.673

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

using model chemistry: HF/Def2TZVPP

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	0.118
2	C	0.458
3	H	0.086
4	H	0.046
5	Cl	-0.099
6	Cl	-0.099
7	F	-0.255
8	F	-0.255

	x	y	z	Total
	-0.117	-0.285	0.000	0.308
CHELPG
AIM
ESP

	x	y	z
x	5.450	0.138	0.000
y	0.138	6.713	0.000
z	0.000	0.000	8.234

<r²>	239.731
(<r²>)^1/2	15.483

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

using model chemistry: HF/Def2TZVPP

States and conformations

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