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	hartrees
Energy at 0K	-1195.759839
Energy at 298.15K	-1195.763399
HF Energy	-1194.785854
Nuclear repulsion energy	377.505797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	17.13
2	A'	3162	3162	7.76
3	A'	1441	1441	52.04
4	A'	1267	1267	2.04
5	A'	1170	1170	105.41
6	A'	1098	1098	39.66
7	A'	811	811	31.37
8	A'	584	584	8.01
9	A'	404	404	15.56
10	A'	347	347	10.78
11	A'	255	255	0.24
12	A"	1402	1402	22.42
13	A"	1251	1251	15.20
14	A"	1188	1188	151.31
15	A"	854	854	112.20
16	A"	404	404	1.07
17	A"	184	184	1.44
18	A"	81	81	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.226	0.000
C2	-0.359	1.102	0.000
H3	1.491	-0.051	0.000
H4	-1.445	0.927	0.000
Cl5	-0.006	-1.142	1.472
Cl6	-0.006	-1.142	-1.472
F7	-0.006	1.817	1.094
F8	-0.006	1.817	-1.094

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5318	1.1000	2.1799	1.7824	1.7824	2.3535	2.3535
C2	1.5318		2.1799	1.1000	2.7067	2.7067	1.3537	1.3537
H3	1.1000	2.1799		3.0947	2.3667	2.3667	2.6322	2.6322
H4	2.1799	1.1000	3.0947		2.9185	2.9185	2.0146	2.0146
Cl5	1.7824	2.7067	2.3667	2.9185		2.9449	2.9831	3.9168
Cl6	1.7824	2.7067	2.3667	2.9185	2.9449		3.9168	2.9831
F7	2.3535	1.3537	2.6322	2.0146	2.9831	3.9168		2.1877
F8	2.3535	1.3537	2.6322	2.0146	3.9168	2.9831	2.1877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.777	C1	C2	F7	109.149
C1	C2	F8	109.149	C2	C1	H3	110.777
C2	C1	Cl5	109.285	C2	C1	Cl6	109.285
H3	C1	Cl5	108.042	H3	C1	Cl6	108.042
H4	C2	F7	109.950	H4	C2	F8	109.950
Cl5	C1	Cl6	111.405	F7	C2	F8	107.807

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVDZ

States and conformations

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