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	hartrees
Energy at 0K	-1195.909915
Energy at 298.15K	-1195.913502
HF Energy	-1194.754812
Nuclear repulsion energy	380.378369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3015	6.40
2	A'	3171	3004	11.86
3	A'	1461	1384	43.76
4	A'	1288	1220	3.86
5	A'	1187	1124	104.65
6	A'	1114	1055	18.46
7	A'	826	783	28.14
8	A'	592	561	7.57
9	A'	407	386	13.70
10	A'	348	330	10.13
11	A'	255	241	0.21
12	A"	1435	1359	16.23
13	A"	1276	1209	16.22
14	A"	1221	1157	132.48
15	A"	878	832	105.71
16	A"	410	389	0.85
17	A"	184	174	1.01
18	A"	81	77	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.226	0.000
C2	-0.359	1.098	0.000
H3	1.479	-0.051	0.000
H4	-1.434	0.924	0.000
Cl5	-0.006	-1.133	1.462
Cl6	-0.006	-1.133	-1.462
F7	-0.006	1.802	1.084
F8	-0.006	1.802	-1.084

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5279	1.0897	2.1679	1.7692	1.7692	2.3357	2.3357
C2	1.5279		2.1679	1.0897	2.6913	2.6913	1.3397	1.3397
H3	1.0897	2.1679		3.0725	2.3487	2.3487	2.6109	2.6109
H4	2.1679	1.0897	3.0725		2.8999	2.8999	1.9965	1.9965
Cl5	1.7692	2.6913	2.3487	2.8999		2.9248	2.9596	3.8860
Cl6	1.7692	2.6913	2.3487	2.8999	2.9248		3.8860	2.9596
F7	2.3357	1.3397	2.6109	1.9965	2.9596	3.8860		2.1681
F8	2.3357	1.3397	2.6109	1.9965	3.8860	2.9596	2.1681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.716	C1	C2	F7	108.902
C1	C2	F8	108.902	C2	C1	H3	110.716
C2	C1	Cl5	109.201	C2	C1	Cl6	109.201
H3	C1	Cl5	108.112	H3	C1	Cl6	108.112
H4	C2	F7	110.113	H4	C2	F8	110.113
Cl5	C1	Cl6	111.496	F7	C2	F8	108.036

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

using model chemistry: CCD/6-31G(2df,p)

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

using model chemistry: CCD/6-31G(2df,p)

States and conformations

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