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	hartrees
Energy at 0K	-1197.292520
Energy at 298.15K	-1197.295965
HF Energy	-1197.292520
Nuclear repulsion energy	377.398757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	3030	8.33
2	A'	3144	3019	7.07
3	A'	1406	1350	33.89
4	A'	1256	1205	1.18
5	A'	1133	1088	126.81
6	A'	1072	1029	26.89
7	A'	796	765	34.70
8	A'	566	543	7.42
9	A'	397	381	17.00
10	A'	344	330	10.94
11	A'	250	240	0.40
12	A"	1361	1306	8.67
13	A"	1253	1203	16.77
14	A"	1122	1077	177.88
15	A"	810	778	145.04
16	A"	392	376	1.92
17	A"	178	171	1.16
18	A"	75	72	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.230	0.000
C2	-0.360	1.097	0.000
H3	1.484	-0.069	0.000
H4	-1.441	0.936	0.000
Cl5	-0.006	-1.142	1.472
Cl6	-0.006	-1.142	-1.472
F7	-0.006	1.820	1.096
F8	-0.006	1.820	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5316	1.0922	2.1824	1.7792	1.7792	2.3602	2.3602
C2	1.5316		2.1824	1.0922	2.7030	2.7030	1.3595	1.3595
H3	1.0922	2.1824		3.0928	2.3531	2.3531	2.6436	2.6436
H4	2.1824	1.0922	3.0928		2.9231	2.9231	2.0099	2.0099
Cl5	1.7792	2.7030	2.3531	2.9231		2.9438	2.9854	3.9197
Cl6	1.7792	2.7030	2.3531	2.9231	2.9438		3.9197	2.9854
F7	2.3602	1.3595	2.6436	2.0099	2.9854	3.9197		2.1916
F8	2.3602	1.3595	2.6436	2.0099	3.9197	2.9854	2.1916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.456	C1	C2	F7	109.295
C1	C2	F8	109.295	C2	C1	H3	111.456
C2	C1	Cl5	109.226	C2	C1	Cl6	109.226
H3	C1	Cl5	107.651	H3	C1	Cl6	107.651
H4	C2	F7	109.643	H4	C2	F8	109.643
Cl5	C1	Cl6	111.635	F7	C2	F8	107.418

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

using model chemistry: B3PW91/6-31+G**

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	-0.324
2	C	0.358
3	H	0.276
4	H	0.178
5	Cl	0.028
6	Cl	0.028
7	F	-0.272
8	F	-0.272

	x	y	z	Total
	-0.070	-0.344	0.000	0.351
CHELPG
AIM
ESP

	x	y	z
x	5.803	0.132	0.000
y	0.132	7.222	0.000
z	0.000	0.000	8.816

<r²>	243.958
(<r²>)^1/2	15.619

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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