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	hartrees
Energy at 0K	-1189.314689
Energy at 298.15K	-1189.318133
HF Energy	-1188.850889
Nuclear repulsion energy	370.044095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3072	1.01
2	A'	3269	3045	18.45
3	A'	1513	1409	30.58
4	A'	1326	1235	0.37
5	A'	1170	1090	103.56
6	A'	1100	1024	26.05
7	A'	768	716	34.45
8	A'	555	517	13.21
9	A'	385	359	24.38
10	A'	334	311	11.39
11	A'	240	224	0.21
12	A"	1489	1387	14.09
13	A"	1265	1178	10.28
14	A"	1231	1147	89.96
15	A"	813	757	104.23
16	A"	399	372	1.60
17	A"	176	164	2.16
18	A"	79	73	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.416	-0.191	0.000
C2	-0.368	1.110	0.000
H3	1.482	-0.013	0.000
H4	-1.434	0.931	0.000
Cl5	-0.006	-1.159	1.522
Cl6	-0.006	-1.159	-1.522
F7	-0.006	1.832	1.122
F8	-0.006	1.832	-1.122

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5187	1.0810	2.1641	1.8526	1.8526	2.3514	2.3514
C2	1.5187		2.1641	1.0810	2.7557	2.7557	1.3825	1.3825
H3	1.0810	2.1641		3.0655	2.4181	2.4181	2.6224	2.6224
H4	2.1641	1.0810	3.0655		2.9538	2.9538	2.0270	2.0270
Cl5	1.8526	2.7557	2.4181	2.9538		3.0441	3.0175	3.9920
Cl6	1.8526	2.7557	2.4181	2.9538	3.0441		3.9920	3.0175
F7	2.3514	1.3825	2.6224	2.0270	3.0175	3.9920		2.2439
F8	2.3514	1.3825	2.6224	2.0270	3.9920	3.0175	2.2439

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.591	C1	C2	F7	108.200
C1	C2	F8	108.200	C2	C1	H3	111.591
C2	C1	Cl5	109.254	C2	C1	Cl6	109.254
H3	C1	Cl5	108.127	H3	C1	Cl6	108.127
H4	C2	F7	110.133	H4	C2	F8	110.133
Cl5	C1	Cl6	110.481	F7	C2	F8	108.497

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

using model chemistry: CID/3-21G

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: CID/3-21G

States and conformations

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