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	hartrees
Energy at 0K	-1195.994890
Energy at 298.15K	-1195.998522
HF Energy	-1194.851746
Nuclear repulsion energy	379.964263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3030	17.70
2	A'	3181	3018	4.08
3	A'	1460	1385	42.26
4	A'	1289	1222	0.40
5	A'	1172	1112	120.35
6	A'	1104	1047	41.12
7	A'	831	788	29.63
8	A'	586	556	7.37
9	A'	412	391	15.57
10	A'	356	338	10.59
11	A'	265	251	0.28
12	A"	1418	1345	15.26
13	A"	1305	1238	20.78
14	A"	1171	1110	151.91
15	A"	874	829	124.14
16	A"	411	390	0.87
17	A"	191	181	1.51
18	A"	84	80	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	-0.232	0.000
C2	-0.354	1.090	0.000
H3	1.479	-0.057	0.000
H4	-1.429	0.915	0.000
Cl5	-0.007	-1.133	1.461
Cl6	-0.007	-1.133	-1.461
F7	-0.007	1.806	1.092
F8	-0.007	1.806	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5244	1.0893	2.1629	1.7649	1.7649	2.3489	2.3489
C2	1.5244		2.1629	1.0893	2.6827	2.6827	1.3513	1.3513
H3	1.0893	2.1629		3.0669	2.3453	2.3453	2.6217	2.6217
H4	2.1629	1.0893	3.0669		2.8901	2.8901	2.0027	2.0027
Cl5	1.7649	2.6827	2.3453	2.8901		2.9227	2.9622	3.8932
Cl6	1.7649	2.6827	2.3453	2.8901	2.9227		3.8932	2.9622
F7	2.3489	1.3513	2.6217	2.0027	2.9622	3.8932		2.1836
F8	2.3489	1.3513	2.6217	2.0027	3.8932	2.9622	2.1836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.587	C1	C2	F7	109.385
C1	C2	F8	109.385	C2	C1	H3	110.587
C2	C1	Cl5	109.069	C2	C1	Cl6	109.069
H3	C1	Cl5	108.165	H3	C1	Cl6	108.165
H4	C2	F7	109.820	H4	C2	F8	109.820
Cl5	C1	Cl6	111.786	F7	C2	F8	107.795

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: MP2=FULL/6-311G**

States and conformations

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