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	hartrees
Energy at 0K	-1195.116878
Energy at 298.15K	-1195.120215
HF Energy	-1194.584505
Nuclear repulsion energy	366.342962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3221	0.82
2	A'	3204	3204	10.80
3	A'	1454	1454	24.55
4	A'	1285	1285	2.09
5	A'	1161	1161	65.31
6	A'	1056	1056	54.05
7	A'	757	757	32.24
8	A'	524	524	12.43
9	A'	378	378	27.68
10	A'	330	330	11.85
11	A'	239	239	0.24
12	A"	1399	1399	8.97
13	A"	1266	1266	14.53
14	A"	1128	1128	91.21
15	A"	777	777	92.01
16	A"	382	382	1.67
17	A"	177	177	2.40
18	A"	75	75	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.198	0.000
C2	-0.372	1.109	0.000
H3	1.491	-0.041	0.000
H4	-1.450	0.952	0.000
Cl5	-0.006	-1.173	1.529
Cl6	-0.006	-1.173	-1.529
F7	-0.006	1.862	1.135
F8	-0.006	1.862	-1.135

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5248	1.0897	2.1892	1.8613	1.8613	2.3890	2.3890
C2	1.5248		2.1892	1.0897	2.7715	2.7715	1.4101	1.4101
H3	1.0897	2.1892		3.1040	2.4212	2.4212	2.6737	2.6737
H4	2.1892	1.0897	3.1040		2.9898	2.9898	2.0499	2.0499
Cl5	1.8613	2.7715	2.4212	2.9898		3.0586	3.0604	4.0384
Cl6	1.8613	2.7715	2.4212	2.9898	3.0586		4.0384	3.0604
F7	2.3890	1.4101	2.6737	2.0499	3.0604	4.0384		2.2699
F8	2.3890	1.4101	2.6737	2.0499	4.0384	3.0604	2.2699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.659	C1	C2	F7	108.910
C1	C2	F8	108.910	C2	C1	H3	112.659
C2	C1	Cl5	109.468	C2	C1	Cl6	109.468
H3	C1	Cl5	107.358	H3	C1	Cl6	107.358
H4	C2	F7	109.508	H4	C2	F8	109.508
Cl5	C1	Cl6	110.498	F7	C2	F8	107.195

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

using model chemistry: MP3=FULL/6-31G

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/6-31G

States and conformations

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