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	hartrees
Energy at 0K	-1196.046738
Energy at 298.15K	-1196.050275
HF Energy	-1194.883052
Nuclear repulsion energy	377.489226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3163	3024
2	A'	3150	3011
3	A'	1453	1389
4	A'	1281	1225
5	A'	1155	1104
6	A'	1087	1039
7	A'	805	769
8	A'	582	557
9	A'	406	388
10	A'	347	331
11	A'	252	241
12	A"	1405	1343
13	A"	1277	1221
14	A"	1142	1092
15	A"	840	803
16	A"	401	383
17	A"	181	173
18	A"	79	75

Atom	x (Å)	y (Å)	z (Å)
C1	0.413	-0.230	0.000
C2	-0.353	1.091	0.000
H3	1.488	-0.060	0.000
H4	-1.428	0.921	0.000
Cl5	-0.008	-1.139	1.477
Cl6	-0.008	-1.139	-1.477
F7	-0.008	1.817	1.092
F8	-0.008	1.817	-1.092

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5273	1.0884	2.1712	1.7850	1.7850	2.3582	2.3582
C2	1.5273		2.1712	1.0884	2.6973	2.6973	1.3562	1.3562
H3	1.0884	2.1712		3.0765	2.3634	2.3634	2.6369	2.6369
H4	2.1712	1.0884	3.0765		2.9055	2.9055	2.0033	2.0033
Cl5	1.7850	2.6973	2.3634	2.9055		2.9549	2.9811	3.9169
Cl6	1.7850	2.6973	2.3634	2.9055	2.9549		3.9169	2.9811
F7	2.3582	1.3562	2.6369	2.0033	2.9811	3.9169		2.1846
F8	2.3582	1.3562	2.6369	2.0033	3.9169	2.9811	2.1846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.106	C1	C2	F7	109.594
C1	C2	F8	109.594	C2	C1	H3	111.106
C2	C1	Cl5	108.794	C2	C1	Cl6	108.794
H3	C1	Cl5	108.220	H3	C1	Cl6	108.220
H4	C2	F7	109.584	H4	C2	F8	109.584
Cl5	C1	Cl6	111.725	F7	C2	F8	107.298

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

using model chemistry: CCSD(T)=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(T)=FULL/TZVP

States and conformations

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