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	hartrees
Energy at 0K	-1195.673453
Energy at 298.15K	-1195.677021
HF Energy	-1194.741029
Nuclear repulsion energy	377.937457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3041	10.61
2	A'	3203	3028	3.78
3	A'	1461	1381	37.31
4	A'	1291	1220	0.44
5	A'	1171	1107	92.12
6	A'	1093	1034	52.92
7	A'	819	774	31.06
8	A'	568	537	6.99
9	A'	407	385	19.73
10	A'	355	336	10.20
11	A'	258	244	0.19
12	A"	1393	1317	11.12
13	A"	1304	1233	22.84
14	A"	1145	1083	163.15
15	A"	861	814	112.32
16	A"	406	383	0.69
17	A"	186	176	1.39
18	A"	86	81	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.409	-0.231	0.000
C2	-0.360	1.086	0.000
H3	1.483	-0.064	0.000
H4	-1.435	0.919	0.000
Cl5	-0.007	-1.138	1.468
Cl6	-0.007	-1.138	-1.468
F7	-0.007	1.816	1.100
F8	-0.007	1.816	-1.100

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5252	1.0875	2.1730	1.7748	1.7748	2.3609	2.3609
C2	1.5252		2.1730	1.0875	2.6882	2.6882	1.3670	1.3670
H3	1.0875	2.1730		3.0795	2.3511	2.3511	2.6392	2.6392
H4	2.1730	1.0875	3.0795		2.9029	2.9029	2.0138	2.0138
Cl5	1.7748	2.6882	2.3511	2.9029		2.9362	2.9767	3.9144
Cl6	1.7748	2.6882	2.3511	2.9029	2.9362		3.9144	2.9767
F7	2.3609	1.3670	2.6392	2.0138	2.9767	3.9144		2.2007
F8	2.3609	1.3670	2.6392	2.0138	3.9144	2.9767	2.2007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.450	C1	C2	F7	109.309
C1	C2	F8	109.309	C2	C1	H3	111.450
C2	C1	Cl5	108.861	C2	C1	Cl6	108.861
H3	C1	Cl5	108.034	H3	C1	Cl6	108.034
H4	C2	F7	109.736	H4	C2	F8	109.736
Cl5	C1	Cl6	111.621	F7	C2	F8	107.202

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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