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	hartrees
Energy at 0K	-1195.824296
Energy at 298.15K	-1195.827790
HF Energy	-1194.812669
Nuclear repulsion energy	376.919261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3086	8.16
2	A'	3167	3069	4.17
3	A'	1407	1364	33.01
4	A'	1242	1203	1.85
5	A'	1151	1115	70.83
6	A'	1067	1034	61.37
7	A'	802	777	29.63
8	A'	559	541	5.58
9	A'	396	384	15.52
10	A'	343	333	10.15
11	A'	252	245	0.12
12	A"	1350	1309	4.78
13	A"	1232	1194	16.28
14	A"	1100	1066	164.66
15	A"	834	808	111.72
16	A"	398	386	0.78
17	A"	181	175	0.92
18	A"	81	78	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.415	-0.227	0.000
C2	-0.361	1.088	0.000
H3	1.500	-0.059	0.000
H4	-1.446	0.920	0.000
Cl5	-0.007	-1.142	1.469
Cl6	-0.007	-1.142	-1.469
F7	-0.007	1.822	1.103
F8	-0.007	1.822	-1.103

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5269	1.0973	2.1859	1.7816	1.7816	2.3645	2.3645
C2	1.5269		2.1859	1.0973	2.6935	2.6935	1.3711	1.3711
H3	1.0973	2.1859		3.1037	2.3669	2.3669	2.6502	2.6502
H4	2.1859	1.0973	3.1037		2.9116	2.9116	2.0243	2.0243
Cl5	1.7816	2.6935	2.3669	2.9116		2.9387	2.9857	3.9238
Cl6	1.7816	2.6935	2.3669	2.9116	2.9387		3.9238	2.9857
F7	2.3645	1.3711	2.6502	2.0243	2.9857	3.9238		2.2058
F8	2.3645	1.3711	2.6502	2.0243	3.9238	2.9857	2.2058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.763	C1	C2	F7	109.238
C1	C2	F8	109.238	C2	C1	H3	111.763
C2	C1	Cl5	108.751	C2	C1	Cl6	108.751
H3	C1	Cl5	108.238	H3	C1	Cl6	108.238
H4	C2	F7	109.692	H4	C2	F8	109.692
Cl5	C1	Cl6	111.118	F7	C2	F8	107.104

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

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