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	hartrees
Energy at 0K	-1183.470903
Energy at 298.15K	-1183.473818
HF Energy	-1183.470903
Nuclear repulsion energy	364.788873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	2923	0.16
2	A'	3294	2915	10.09
3	A'	1421	1258	13.83
4	A'	1282	1135	22.21
5	A'	1154	1022	41.14
6	A'	1032	914	7.84
7	A'	821	726	31.65
8	A'	540	478	8.34
9	A'	375	332	7.72
10	A'	321	284	11.18
11	A'	225	199	2.78
12	A"	1418	1255	13.54
13	A"	1314	1163	25.59
14	A"	1224	1084	32.70
15	A"	919	813	100.06
16	A"	376	333	0.83
17	A"	144	128	0.46
18	A"	40	35	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.402	-0.245	0.000
C2	-0.379	1.164	0.000
H3	1.508	-0.062	0.000
H4	-1.485	0.981	0.000
Cl5	-0.003	-1.185	1.521
Cl6	-0.003	-1.185	-1.521
F7	-0.003	1.880	1.139
F8	-0.003	1.880	-1.139

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.6107	1.1204	2.2498	1.8337	1.8337	2.4442	2.4442
C2	1.6107		2.2498	1.1204	2.8233	2.8233	1.3966	1.3966
H3	1.1204	2.2498		3.1686	2.4203	2.4203	2.7108	2.7108
H4	2.2498	1.1204	3.1686		3.0329	3.0329	2.0734	2.0734
Cl5	1.8337	2.8233	2.4203	3.0329		3.0428	3.0883	4.0579
Cl6	1.8337	2.8233	2.4203	3.0329	3.0428		4.0579	3.0883
F7	2.4442	1.3966	2.7108	2.0734	3.0883	4.0579		2.2772
F8	2.4442	1.3966	2.7108	2.0734	4.0579	3.0883	2.2772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	109.623	C1	C2	F7	108.525
C1	C2	F8	108.525	C2	C1	H3	109.623
C2	C1	Cl5	109.939	C2	C1	Cl6	109.939
H3	C1	Cl5	107.566	H3	C1	Cl6	107.566
H4	C2	F7	110.447	H4	C2	F8	110.447
Cl5	C1	Cl6	112.129	F7	C2	F8	109.225

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

using model chemistry: B3PW91/STO-3G

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	-0.016
2	C	0.151
3	H	0.140
4	H	0.098
5	Cl	-0.108
6	Cl	-0.108
7	F	-0.079
8	F	-0.079

	x	y	z	Total
	0.313	1.457	0.000	1.490
CHELPG
AIM
ESP

	x	y	z
x	1.851	0.284	0.000
y	0.284	3.231	0.000
z	0.000	0.000	4.852

<r²>	256.905
(<r²>)^1/2	16.028

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

using model chemistry: B3PW91/STO-3G

States and conformations

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