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	hartrees
Energy at 0K	-1196.015630
Energy at 298.15K	-1196.019223
HF Energy	-1194.883641
Nuclear repulsion energy	378.408681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3021	13.62
2	A'	3175	3009	3.68
3	A'	1472	1395	40.62
4	A'	1299	1230	1.25
5	A'	1174	1112	121.69
6	A'	1102	1045	32.96
7	A'	819	776	28.24
8	A'	592	561	7.89
9	A'	412	390	18.66
10	A'	352	333	10.29
11	A'	256	243	0.22
12	A"	1424	1349	11.97
13	A"	1294	1226	20.00
14	A"	1169	1108	160.93
15	A"	862	816	107.72
16	A"	407	386	0.90
17	A"	184	175	1.47
18	A"	80	76	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.411	-0.230	0.000
C2	-0.353	1.091	0.000
H3	1.484	-0.060	0.000
H4	-1.426	0.921	0.000
Cl5	-0.008	-1.138	1.473
Cl6	-0.008	-1.138	-1.473
F7	-0.008	1.814	1.088
F8	-0.008	1.814	-1.088

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5252	1.0863	2.1671	1.7802	1.7802	2.3529	2.3529
C2	1.5252		2.1671	1.0863	2.6935	2.6935	1.3513	1.3513
H3	1.0863	2.1671		3.0703	2.3569	2.3569	2.6308	2.6308
H4	2.1671	1.0863	3.0703		2.9016	2.9016	1.9978	1.9978
Cl5	1.7802	2.6935	2.3569	2.9016		2.9458	2.9767	3.9080
Cl6	1.7802	2.6935	2.3569	2.9016	2.9458		3.9080	2.9767
F7	2.3529	1.3513	2.6308	1.9978	2.9767	3.9080		2.1765
F8	2.3529	1.3513	2.6308	1.9978	3.9080	2.9767	2.1765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.046	C1	C2	F7	109.612
C1	C2	F8	109.612	C2	C1	H3	111.046
C2	C1	Cl5	108.908	C2	C1	Cl6	108.908
H3	C1	Cl5	108.166	H3	C1	Cl6	108.166
H4	C2	F7	109.603	H4	C2	F8	109.603
Cl5	C1	Cl6	111.661	F7	C2	F8	107.286

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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