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	hartrees
Energy at 0K	-1195.859986
Energy at 298.15K	-1195.863601
HF Energy	-1194.851773
Nuclear repulsion energy	378.836290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3031	19.86
2	A'	3164	3019	3.04
3	A'	1467	1400	44.28
4	A'	1292	1233	0.55
5	A'	1175	1121	124.15
6	A'	1103	1052	36.38
7	A'	823	785	30.50
8	A'	587	560	8.17
9	A'	411	392	16.50
10	A'	355	339	10.27
11	A'	262	250	0.28
12	A"	1421	1356	17.83
13	A"	1306	1246	22.73
14	A"	1183	1128	147.86
15	A"	866	826	122.66
16	A"	408	390	1.04
17	A"	189	180	1.54
18	A"	82	78	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.231	0.000
C2	-0.356	1.096	0.000
H3	1.482	-0.058	0.000
H4	-1.432	0.924	0.000
Cl5	-0.007	-1.138	1.467
Cl6	-0.007	-1.138	-1.467
F7	-0.007	1.813	1.091
F8	-0.007	1.813	-1.091

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5296	1.0903	2.1697	1.7731	1.7731	2.3525	2.3525
C2	1.5296		2.1697	1.0903	2.6954	2.6954	1.3507	1.3507
H3	1.0903	2.1697		3.0745	2.3522	2.3522	2.6274	2.6274
H4	2.1697	1.0903	3.0745		2.9039	2.9039	2.0029	2.0029
Cl5	1.7731	2.6954	2.3522	2.9039		2.9335	2.9745	3.9046
Cl6	1.7731	2.6954	2.3522	2.9039	2.9335		3.9046	2.9745
F7	2.3525	1.3507	2.6274	2.0029	2.9745	3.9046		2.1812
F8	2.3525	1.3507	2.6274	2.0029	3.9046	2.9745	2.1812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.701	C1	C2	F7	109.369
C1	C2	F8	109.369	C2	C1	H3	110.701
C2	C1	Cl5	109.171	C2	C1	Cl6	109.171
H3	C1	Cl5	108.085	H3	C1	Cl6	108.085
H4	C2	F7	109.824	H4	C2	F8	109.824
Cl5	C1	Cl6	111.626	F7	C2	F8	107.699

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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