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	hartrees
Energy at 0K	-1195.884852
Energy at 298.15K	-1195.888460
HF Energy	-1194.883739
Nuclear repulsion energy	378.532530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3028	13.93
2	A'	3181	3015	3.45
3	A'	1478	1401	42.06
4	A'	1302	1235	1.63
5	A'	1180	1119	124.80
6	A'	1107	1049	30.14
7	A'	822	780	28.05
8	A'	595	564	8.14
9	A'	413	392	19.12
10	A'	353	335	10.32
11	A'	257	243	0.23
12	A"	1431	1357	13.19
13	A"	1300	1232	19.38
14	A"	1182	1121	159.47
15	A"	868	823	104.56
16	A"	409	388	0.86
17	A"	185	175	1.47
18	A"	81	77	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.410	-0.230	0.000
C2	-0.352	1.092	0.000
H3	1.484	-0.060	0.000
H4	-1.426	0.922	0.000
Cl5	-0.008	-1.138	1.472
Cl6	-0.008	-1.138	-1.472
F7	-0.008	1.814	1.087
F8	-0.008	1.814	-1.087

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5261	1.0868	2.1675	1.7794	1.7794	2.3526	2.3526
C2	1.5261		2.1675	1.0868	2.6937	2.6937	1.3498	1.3498
H3	1.0868	2.1675		3.0708	2.3566	2.3566	2.6305	2.6305
H4	2.1675	1.0868	3.0708		2.9016	2.9016	1.9969	1.9969
Cl5	1.7794	2.6937	2.3566	2.9016		2.9448	2.9764	3.9066
Cl6	1.7794	2.6937	2.3566	2.9016	2.9448		3.9066	2.9764
F7	2.3526	1.3498	2.6305	1.9969	2.9764	3.9066		2.1743
F8	2.3526	1.3498	2.6305	1.9969	3.9066	2.9764	2.1743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.992	C1	C2	F7	109.631
C1	C2	F8	109.631	C2	C1	H3	110.992
C2	C1	Cl5	108.919	C2	C1	Cl6	108.919
H3	C1	Cl5	108.170	H3	C1	Cl6	108.170
H4	C2	F7	109.606	H4	C2	F8	109.606
Cl5	C1	Cl6	111.682	F7	C2	F8	107.300

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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