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	hartrees
Energy at 0K	-1195.750457
Energy at 298.15K	-1195.754038
HF Energy	-1194.786201
Nuclear repulsion energy	377.955159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3006	14.47
2	A'	3187	2997	9.56
3	A'	1450	1363	54.77
4	A'	1274	1198	2.79
5	A'	1180	1109	111.68
6	A'	1105	1039	34.61
7	A'	817	768	31.13
8	A'	590	555	8.44
9	A'	406	382	15.75
10	A'	348	328	11.13
11	A'	256	241	0.25
12	A"	1413	1328	24.59
13	A"	1259	1184	13.08
14	A"	1207	1135	151.32
15	A"	861	810	110.99
16	A"	407	383	1.07
17	A"	185	174	1.44
18	A"	81	76	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.226	0.000
C2	-0.358	1.101	0.000
H3	1.489	-0.051	0.000
H4	-1.442	0.926	0.000
Cl5	-0.006	-1.141	1.472
Cl6	-0.006	-1.141	-1.472
F7	-0.006	1.815	1.091
F8	-0.006	1.815	-1.091

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5314	1.0983	2.1776	1.7810	1.7810	2.3505	2.3505
C2	1.5314		2.1776	1.0983	2.7050	2.7050	1.3501	1.3501
H3	1.0983	2.1776		3.0905	2.3644	2.3644	2.6284	2.6284
H4	2.1776	1.0983	3.0905		2.9157	2.9157	2.0104	2.0104
Cl5	1.7810	2.7050	2.3644	2.9157		2.9437	2.9799	3.9118
Cl6	1.7810	2.7050	2.3644	2.9157	2.9437		3.9118	2.9799
F7	2.3505	1.3501	2.6284	2.0104	2.9799	3.9118		2.1817
F8	2.3505	1.3501	2.6284	2.0104	3.9118	2.9799	2.1817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.725	C1	C2	F7	109.158
C1	C2	F8	109.158	C2	C1	H3	110.725
C2	C1	Cl5	109.266	C2	C1	Cl6	109.266
H3	C1	Cl5	108.056	H3	C1	Cl6	108.056
H4	C2	F7	109.972	H4	C2	F8	109.972
Cl5	C1	Cl6	111.467	F7	C2	F8	107.799

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

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

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