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	hartrees
Energy at 0K	-1195.635079
Energy at 298.15K	-1195.638691
HF Energy	-1194.729574
Nuclear repulsion energy	378.898778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3021	15.90
2	A'	3211	3011	8.51
3	A'	1487	1394	44.92
4	A'	1307	1225	1.19
5	A'	1193	1118	103.92
6	A'	1122	1052	33.44
7	A'	833	781	30.67
8	A'	580	544	7.84
9	A'	410	384	17.09
10	A'	356	334	11.53
11	A'	262	245	0.27
12	A"	1445	1355	21.43
13	A"	1321	1238	23.11
14	A"	1210	1135	128.31
15	A"	884	829	106.16
16	A"	411	385	0.76
17	A"	189	177	1.45
18	A"	84	79	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.228	0.000
C2	-0.361	1.094	0.000
H3	1.473	-0.054	0.000
H4	-1.434	0.920	0.000
Cl5	-0.005	-1.137	1.466
Cl6	-0.005	-1.137	-1.466
F7	-0.005	1.810	1.096
F8	-0.005	1.810	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5249	1.0871	2.1631	1.7712	1.7712	2.3496	2.3496
C2	1.5249		2.1631	1.0871	2.6923	2.6923	1.3569	1.3569
H3	1.0871	2.1631		3.0652	2.3459	2.3459	2.6196	2.6196
H4	2.1631	1.0871	3.0652		2.9013	2.9013	2.0086	2.0086
Cl5	1.7712	2.6923	2.3459	2.9013		2.9314	2.9698	3.9046
Cl6	1.7712	2.6923	2.3459	2.9013	2.9314		3.9046	2.9698
F7	2.3496	1.3569	2.6196	2.0086	2.9698	3.9046		2.1923
F8	2.3496	1.3569	2.6196	2.0086	3.9046	2.9698	2.1923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.698	C1	C2	F7	109.100
C1	C2	F8	109.100	C2	C1	H3	110.697
C2	C1	Cl5	109.309	C2	C1	Cl6	109.309
H3	C1	Cl5	107.913	H3	C1	Cl6	107.913
H4	C2	F7	110.057	H4	C2	F8	110.057
Cl5	C1	Cl6	111.691	F7	C2	F8	107.769

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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