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	hartrees
Energy at 0K	-1189.748268
Energy at 298.15K	-1189.751723
HF Energy	-1189.065450
Nuclear repulsion energy	374.506786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3055	2.35
2	A'	3191	3036	20.27
3	A'	1479	1407	24.80
4	A'	1312	1248	0.63
5	A'	1127	1073	96.08
6	A'	1064	1012	23.22
7	A'	789	751	27.93
8	A'	544	518	10.07
9	A'	382	364	21.00
10	A'	350	333	11.46
11	A'	255	243	0.05
12	A"	1466	1394	14.29
13	A"	1305	1242	14.23
14	A"	1185	1127	81.24
15	A"	808	769	108.28
16	A"	398	378	2.42
17	A"	177	168	1.98
18	A"	80	76	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.406	-0.224	0.000
C2	-0.372	1.098	0.000
H3	1.477	-0.036	0.000
H4	-1.443	0.909	0.000
Cl5	-0.005	-1.144	1.479
Cl6	-0.005	-1.144	-1.479
F7	-0.005	1.821	1.134
F8	-0.005	1.821	-1.134

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5340	1.0875	2.1691	1.7892	1.7892	2.3739	2.3739
C2	1.5340		2.1691	1.0875	2.7103	2.7103	1.3939	1.3939
H3	1.0875	2.1691		3.0696	2.3687	2.3687	2.6320	2.6320
H4	2.1691	1.0875	3.0696		2.9105	2.9105	2.0459	2.0459
Cl5	1.7892	2.7103	2.3687	2.9105		2.9572	2.9848	3.9513
Cl6	1.7892	2.7103	2.3687	2.9105	2.9572		3.9513	2.9848
F7	2.3739	1.3939	2.6320	2.0459	2.9848	3.9513		2.2670
F8	2.3739	1.3939	2.6320	2.0459	3.9513	2.9848	2.2670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.517	C1	C2	F7	108.253
C1	C2	F8	108.253	C2	C1	H3	110.517
C2	C1	Cl5	109.053	C2	C1	Cl6	109.053
H3	C1	Cl5	108.376	H3	C1	Cl6	108.376
H4	C2	F7	110.466	H4	C2	F8	110.466
Cl5	C1	Cl6	111.465	F7	C2	F8	108.817

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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