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	hartrees
Energy at 0K	-1197.618024
Energy at 298.15K	-1197.621450
HF Energy	-1197.618024
Nuclear repulsion energy	376.031754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3033	13.61
2	A'	3125	3021	5.77
3	A'	1410	1363	32.91
4	A'	1256	1215	0.39
5	A'	1118	1081	145.06
6	A'	1064	1029	26.10
7	A'	781	755	35.68
8	A'	567	549	8.35
9	A'	393	380	16.55
10	A'	341	330	9.58
11	A'	250	241	0.31
12	A"	1374	1329	8.96
13	A"	1252	1211	18.77
14	A"	1107	1070	162.11
15	A"	779	754	161.62
16	A"	387	374	3.45
17	A"	180	174	1.39
18	A"	70	68	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.222	0.000
C2	-0.363	1.107	0.000
H3	1.477	-0.062	0.000
H4	-1.440	0.947	0.000
Cl5	-0.005	-1.148	1.480
Cl6	-0.005	-1.148	-1.480
F7	-0.005	1.825	1.096
F8	-0.005	1.825	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5322	1.0887	2.1795	1.7923	1.7923	2.3574	2.3574
C2	1.5322		2.1795	1.0887	2.7210	2.7210	1.3589	1.3589
H3	1.0887	2.1795		3.0861	2.3590	2.3590	2.6381	2.6381
H4	2.1795	1.0887	3.0861		2.9393	2.9393	2.0082	2.0082
Cl5	1.7923	2.7210	2.3590	2.9393		2.9603	2.9982	3.9345
Cl6	1.7923	2.7210	2.3590	2.9393	2.9603		3.9345	2.9982
F7	2.3574	1.3589	2.6381	2.0082	2.9982	3.9345		2.1929
F8	2.3574	1.3589	2.6381	2.0082	3.9345	2.9982	2.1929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.407	C1	C2	F7	109.112
C1	C2	F8	109.112	C2	C1	H3	111.407
C2	C1	Cl5	109.622	C2	C1	Cl6	109.622
H3	C1	Cl5	107.409	H3	C1	Cl6	107.409
H4	C2	F7	109.772	H4	C2	F8	109.772
Cl5	C1	Cl6	111.348	F7	C2	F8	107.580

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

using model chemistry: B3LYP/6-311G**

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	-0.376
2	C	0.448
3	H	0.236
4	H	0.131
5	Cl	-0.003
6	Cl	-0.003
7	F	-0.216
8	F	-0.216

	x	y	z	Total
	-0.081	-0.077	0.000	0.112
CHELPG
AIM
ESP

<r²>	245.968
(<r²>)^1/2	15.683

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

using model chemistry: B3LYP/6-311G**

States and conformations

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