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	hartrees
Energy at 0K	-1195.869748
Energy at 298.15K	-1195.873192
HF Energy	-1194.811870
Nuclear repulsion energy	375.002957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3142	3024
2	A'	3126	3009
3	A'	1400	1347
4	A'	1234	1188
5	A'	1139	1096
6	A'	1057	1018
7	A'	787	757
8	A'	554	533
9	A'	391	376
10	A'	338	326
11	A'	249	239
12	A"	1341	1291
13	A"	1224	1178
14	A"	1099	1058
15	A"	814	784
16	A"	392	377
17	A"	178	172
18	A"	78	75

Atom	x (Å)	y (Å)	z (Å)
C1	0.416	-0.226	0.000
C2	-0.363	1.096	0.000
H3	1.504	-0.059	0.000
H4	-1.451	0.930	0.000
Cl5	-0.007	-1.149	1.479
Cl6	-0.007	-1.149	-1.479
F7	-0.007	1.831	1.104
F8	-0.007	1.831	-1.104

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5344	1.1008	2.1958	1.7939	1.7939	2.3725	2.3725
C2	1.5344		2.1958	1.1008	2.7118	2.7118	1.3734	1.3734
H3	1.1008	2.1958		3.1164	2.3787	2.3787	2.6603	2.6603
H4	2.1958	1.1008	3.1164		2.9313	2.9313	2.0290	2.0290
Cl5	1.7939	2.7118	2.3787	2.9313		2.9577	3.0032	3.9436
Cl6	1.7939	2.7118	2.3787	2.9313	2.9577		3.9436	3.0032
F7	2.3725	1.3734	2.6603	2.0290	3.0032	3.9436		2.2089
F8	2.3725	1.3734	2.6603	2.0290	3.9436	3.0032	2.2089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.810	C1	C2	F7	109.232
C1	C2	F8	109.232	C2	C1	H3	111.810
C2	C1	Cl5	108.880	C2	C1	Cl6	108.880
H3	C1	Cl5	108.117	H3	C1	Cl6	108.117
H4	C2	F7	109.692	H4	C2	F8	109.692
Cl5	C1	Cl6	111.050	F7	C2	F8	107.064

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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