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	hartrees
Energy at 0K	-1197.162159
Energy at 298.15K	-1197.154993
HF Energy	-1197.499104
Nuclear repulsion energy	377.458432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3009	9.90
2	A'	3105	2996	12.58
3	A'	1406	1357	32.87
4	A'	1251	1207	2.04
5	A'	1134	1094	121.01
6	A'	1067	1030	12.84
7	A'	787	759	30.57
8	A'	574	554	7.67
9	A'	393	379	12.92
10	A'	338	326	8.69
11	A'	245	236	0.29
12	A"	1385	1336	9.24
13	A"	1232	1189	18.91
14	A"	1146	1106	139.58
15	A"	795	767	137.65
16	A"	390	377	2.66
17	A"	177	171	0.93
18	A"	70	67	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.225	0.000
C2	-0.362	1.108	0.000
H3	1.480	-0.058	0.000
H4	-1.441	0.941	0.000
Cl5	-0.005	-1.142	1.477
Cl6	-0.005	-1.142	-1.477
F7	-0.005	1.814	1.092
F8	-0.005	1.814	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5359	1.0921	2.1796	1.7852	1.7852	2.3486	2.3486
C2	1.5359		2.1796	1.0921	2.7151	2.7151	1.3481	1.3481
H3	1.0921	2.1796		3.0867	2.3584	2.3584	2.6272	2.6272
H4	2.1796	1.0921	3.0867		2.9293	2.9293	2.0040	2.0040
Cl5	1.7852	2.7151	2.3584	2.9293		2.9541	2.9813	3.9163
Cl6	1.7852	2.7151	2.3584	2.9293	2.9541		3.9163	2.9813
F7	2.3486	1.3481	2.6272	2.0040	2.9813	3.9163		2.1832
F8	2.3486	1.3481	2.6272	2.0040	3.9163	2.9813	2.1832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.107	C1	C2	F7	108.851
C1	C2	F8	108.851	C2	C1	H3	109.818
C2	C1	Cl5	109.726	C2	C1	Cl6	109.726
H3	C1	Cl5	107.768	H3	C1	Cl6	107.768
H4	C2	F7	109.752	H4	C2	F8	109.752
Cl5	C1	Cl6	111.983	F7	C2	F8	108.476

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

using model chemistry: G4

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	-0.068
2	C	0.169
3	H	0.192
4	H	0.117
5	Cl	-0.110
6	Cl	-0.110
7	F	-0.095
8	F	-0.095

	x	y	z	Total
	0.024	0.082	0.000	0.086
CHELPG
AIM
ESP

<r²>	243.358
(<r²>)^1/2	15.600

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

using model chemistry: G4

States and conformations

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