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	hartrees
Energy at 0K	-1191.696946
Energy at 298.15K	-1191.700116
HF Energy	-1191.696946
Nuclear repulsion energy	369.806961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3079	3059	3.75
2	A'	3051	3031	26.23
3	A'	1387	1378	15.68
4	A'	1241	1233	1.65
5	A'	1047	1041	94.30
6	A'	1000	994	18.79
7	A'	722	717	31.14
8	A'	515	512	8.24
9	A'	358	355	17.83
10	A'	326	324	7.85
11	A'	235	233	0.15
12	A"	1370	1361	8.91
13	A"	1217	1209	16.64
14	A"	1088	1081	90.08
15	A"	699	695	146.91
16	A"	363	361	6.66
17	A"	167	166	1.58
18	A"	74	73	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.218	0.000
C2	-0.381	1.113	0.000
H3	1.485	-0.029	0.000
H4	-1.461	0.925	0.000
Cl5	-0.003	-1.155	1.510
Cl6	-0.003	-1.155	-1.510
F7	-0.003	1.834	1.144
F8	-0.003	1.834	-1.144

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5458	1.0965	2.1883	1.8234	1.8234	2.3838	2.3838
C2	1.5458		2.1883	1.0965	2.7511	2.7511	1.4034	1.4034
H3	1.0965	2.1883		3.0971	2.4005	2.4005	2.6444	2.6444
H4	2.1883	1.0965	3.0971		2.9551	2.9551	2.0640	2.0640
Cl5	1.8234	2.7511	2.4005	2.9551		3.0195	3.0113	3.9967
Cl6	1.8234	2.7511	2.4005	2.9551	3.0195		3.9967	3.0113
F7	2.3838	1.4034	2.6444	2.0640	3.0113	3.9967		2.2871
F8	2.3838	1.4034	2.6444	2.0640	3.9967	3.0113	2.2871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.671	C1	C2	F7	107.754
C1	C2	F8	107.754	C2	C1	H3	110.671
C2	C1	Cl5	109.202	C2	C1	Cl6	109.202
H3	C1	Cl5	107.990	H3	C1	Cl6	107.990
H4	C2	F7	110.710	H4	C2	F8	110.710
Cl5	C1	Cl6	111.781	F7	C2	F8	109.142

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

using model chemistry: BLYP/3-21G*

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	-0.466
2	C	0.374
3	H	0.295
4	H	0.213
5	Cl	0.025
6	Cl	0.025
7	F	-0.233
8	F	-0.233

	x	y	z	Total
	-0.009	0.245	0.000	0.245
CHELPG
AIM
ESP

	x	y	z
x	4.222	0.203	0.000
y	0.203	5.803	0.000
z	0.000	0.000	7.981

<r²>	251.684
(<r²>)^1/2	15.865

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

using model chemistry: BLYP/3-21G*

States and conformations

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