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	hartrees
Energy at 0K	-1195.120636
Energy at 298.15K	-1195.123953
HF Energy	-1194.583891
Nuclear repulsion energy	365.777993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3062	1.18
2	A'	3175	3046	10.67
3	A'	1444	1386	24.05
4	A'	1277	1226	1.92
5	A'	1154	1108	62.64
6	A'	1048	1006	53.08
7	A'	753	722	30.92
8	A'	520	499	12.03
9	A'	376	361	27.75
10	A'	328	315	11.34
11	A'	238	228	0.23
12	A"	1392	1335	8.98
13	A"	1257	1206	13.15
14	A"	1120	1075	89.90
15	A"	774	743	84.69
16	A"	380	364	1.51
17	A"	177	170	2.39
18	A"	75	72	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.198	0.000
C2	-0.372	1.111	0.000
H3	1.494	-0.041	0.000
H4	-1.453	0.954	0.000
Cl5	-0.006	-1.175	1.531
Cl6	-0.006	-1.175	-1.531
F7	-0.006	1.864	1.138
F8	-0.006	1.864	-1.138

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5264	1.0921	2.1927	1.8638	1.8638	2.3924	2.3924
C2	1.5264		2.1927	1.0921	2.7758	2.7758	1.4129	1.4129
H3	1.0921	2.1927		3.1099	2.4244	2.4244	2.6784	2.6784
H4	2.1927	1.0921	3.1099		2.9953	2.9953	2.0535	2.0535
Cl5	1.8638	2.7758	2.4244	2.9953		3.0622	3.0646	4.0449
Cl6	1.8638	2.7758	2.4244	2.9953	3.0622		4.0449	3.0646
F7	2.3924	1.4129	2.6784	2.0535	3.0646	4.0449		2.2760
F8	2.3924	1.4129	2.6784	2.0535	4.0449	3.0646	2.2760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.675	C1	C2	F7	108.900
C1	C2	F8	108.900	C2	C1	H3	112.675
C2	C1	Cl5	109.519	C2	C1	Cl6	109.519
H3	C1	Cl5	107.309	H3	C1	Cl6	107.309
H4	C2	F7	109.457	H4	C2	F8	109.457
Cl5	C1	Cl6	110.471	F7	C2	F8	107.305

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)