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	hartrees
Energy at 0K	-1195.682729
Energy at 298.15K	-1195.686268
HF Energy	-1194.725577
Nuclear repulsion energy	378.121884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3066
2	A'	3147	3055
3	A'	1460	1417
4	A'	1284	1247
5	A'	1171	1137
6	A'	1107	1074
7	A'	816	793
8	A'	570	553
9	A'	403	391
10	A'	352	342
11	A'	258	251
12	A"	1418	1377
13	A"	1300	1262
14	A"	1179	1144
15	A"	854	829
16	A"	404	393
17	A"	186	181
18	A"	84	81

Atom	x (Å)	y (Å)	z (Å)
C1	0.403	-0.226	0.000
C2	-0.363	1.093	0.000
H3	1.482	-0.051	0.000
H4	-1.442	0.918	0.000
Cl5	-0.005	-1.137	1.469
Cl6	-0.005	-1.137	-1.469
F7	-0.005	1.811	1.100
F8	-0.005	1.811	-1.100

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5255	1.0939	2.1713	1.7763	1.7763	2.3510	2.3510
C2	1.5255		2.1713	1.0939	2.6949	2.6949	1.3611	1.3611
H3	1.0939	2.1713		3.0815	2.3562	2.3562	2.6253	2.6253
H4	2.1713	1.0939	3.0815		2.9069	2.9069	2.0179	2.0179
Cl5	1.7763	2.6949	2.3562	2.9069		2.9385	2.9715	3.9108
Cl6	1.7763	2.6949	2.3562	2.9069	2.9385		3.9108	2.9715
F7	2.3510	1.3611	2.6253	2.0179	2.9715	3.9108		2.1999
F8	2.3510	1.3611	2.6253	2.0179	3.9108	2.9715	2.1999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.906	C1	C2	F7	108.935
C1	C2	F8	108.935	C2	C1	H3	110.906
C2	C1	Cl5	109.178	C2	C1	Cl6	109.178
H3	C1	Cl5	107.984	H3	C1	Cl6	107.984
H4	C2	F7	110.085	H4	C2	F8	110.085
Cl5	C1	Cl6	111.612	F7	C2	F8	107.825

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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