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	hartrees
Energy at 0K	-1195.465033
Energy at 298.15K	-1195.468734
HF Energy	-1194.727174
Nuclear repulsion energy	380.820295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3046	11.06
2	A'	3288	3037	11.07
3	A'	1531	1414	49.39
4	A'	1345	1243	1.40
5	A'	1228	1134	117.63
6	A'	1157	1069	34.51
7	A'	858	793	36.39
8	A'	599	553	8.87
9	A'	422	390	18.93
10	A'	368	340	12.27
11	A'	269	249	0.29
12	A"	1488	1374	22.26
13	A"	1358	1255	24.40
14	A"	1248	1153	144.60
15	A"	910	840	124.92
16	A"	424	392	0.93
17	A"	194	179	1.56
18	A"	87	80	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	-0.226	0.000
C2	-0.359	1.092	0.000
H3	1.467	-0.056	0.000
H4	-1.429	0.922	0.000
Cl5	-0.005	-1.132	1.458
Cl6	-0.005	-1.132	-1.458
F7	-0.005	1.802	1.087
F8	-0.005	1.802	-1.087

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5197	1.0828	2.1575	1.7638	1.7638	2.3356	2.3356
C2	1.5197		2.1575	1.0828	2.6831	2.6831	1.3459	1.3459
H3	1.0828	2.1575		3.0570	2.3353	2.3353	2.6081	2.6081
H4	2.1575	1.0828	3.0570		2.8938	2.8938	1.9957	1.9957
Cl5	1.7638	2.6831	2.3353	2.8938		2.9166	2.9575	3.8844
Cl6	1.7638	2.6831	2.3353	2.8938	2.9166		3.8844	2.9575
F7	2.3356	1.3459	2.6081	1.9957	2.9575	3.8844		2.1744
F8	2.3356	1.3459	2.6081	1.9957	3.8844	2.9575	2.1744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.877	C1	C2	F7	109.037
C1	C2	F8	109.037	C2	C1	H3	110.877
C2	C1	Cl5	109.374	C2	C1	Cl6	109.374
H3	C1	Cl5	107.835	H3	C1	Cl6	107.835
H4	C2	F7	110.035	H4	C2	F8	110.035
Cl5	C1	Cl6	111.537	F7	C2	F8	107.752

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

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

States and conformations

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