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	hartrees
Energy at 0K	-1188.207671
Energy at 298.15K	-1188.211045
HF Energy	-1188.207671
Nuclear repulsion energy	379.020678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	3003	2.13
2	A'	3027	2972	23.20
3	A'	1388	1363	21.03
4	A'	1243	1220	0.63
5	A'	1125	1105	85.82
6	A'	1063	1043	20.19
7	A'	775	762	28.99
8	A'	545	535	7.45
9	A'	376	369	12.86
10	A'	338	332	14.94
11	A'	247	243	0.11
12	A"	1374	1349	14.85
13	A"	1221	1199	8.76
14	A"	1177	1156	92.81
15	A"	782	768	134.03
16	A"	390	383	3.07
17	A"	170	167	1.74
18	A"	81	80	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.222	0.000
C2	-0.371	1.082	0.000
H3	1.484	-0.013	0.000
H4	-1.454	0.873	0.000
Cl5	-0.004	-1.122	1.470
Cl6	-0.004	-1.122	-1.470
F7	-0.004	1.785	1.122
F8	-0.004	1.785	-1.122

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5151	1.1032	2.1543	1.7710	1.7710	2.3348	2.3348
C2	1.5151		2.1543	1.1032	2.6747	2.6747	1.3738	1.3738
H3	1.1032	2.1543		3.0692	2.3678	2.3678	2.5900	2.5900
H4	2.1543	1.1032	3.0692		2.8716	2.8716	2.0476	2.0476
Cl5	1.7710	2.6747	2.3678	2.8716		2.9408	2.9283	3.8951
Cl6	1.7710	2.6747	2.3678	2.8716	2.9408		3.8951	2.9283
F7	2.3348	1.3738	2.5900	2.0476	2.9283	3.8951		2.2432
F8	2.3348	1.3738	2.5900	2.0476	3.8951	2.9283	2.2432

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.723	C1	C2	F7	107.735
C1	C2	F8	107.735	C2	C1	H3	109.723
C2	C1	Cl5	108.716	C2	C1	Cl6	108.716
H3	C1	Cl5	108.706	H3	C1	Cl6	108.706
H4	C2	F7	111.038	H4	C2	F8	111.038
Cl5	C1	Cl6	112.252	F7	C2	F8	109.456

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

using model chemistry: LSDA/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	-0.574
2	C	0.327
3	H	0.334
4	H	0.241
5	Cl	0.058
6	Cl	0.058
7	F	-0.222
8	F	-0.222

	x	y	z	Total
	0.046	0.176	0.000	0.181
CHELPG
AIM
ESP

	x	y	z
x	4.254	0.195	0.000
y	0.195	5.515	0.000
z	0.000	0.000	7.530

<r²>	240.373
(<r²>)^1/2	15.504

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

using model chemistry: LSDA/3-21G*

States and conformations

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