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	hartrees
Energy at 0K	-1191.563510
Energy at 298.15K	-1191.566773
HF Energy	-1191.563510
Nuclear repulsion energy	369.138562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3088	0.70
2	A'	3167	3055	21.11
3	A'	1437	1386	19.57
4	A'	1273	1228	0.72
5	A'	1106	1068	94.50
6	A'	1058	1021	22.86
7	A'	734	709	37.62
8	A'	532	513	10.74
9	A'	369	356	20.70
10	A'	321	309	10.64
11	A'	230	222	0.34
12	A"	1414	1365	8.92
13	A"	1211	1169	17.97
14	A"	1149	1109	91.19
15	A"	748	722	137.51
16	A"	377	363	3.88
17	A"	166	161	1.85
18	A"	72	70	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.417	-0.188	0.000
C2	-0.374	1.111	0.000
H3	1.488	-0.006	0.000
H4	-1.445	0.929	0.000
Cl5	-0.006	-1.158	1.528
Cl6	-0.006	-1.158	-1.528
F7	-0.006	1.829	1.130
F8	-0.006	1.829	-1.130

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5204	1.0867	2.1712	1.8588	1.8588	2.3506	2.3506
C2	1.5204		2.1712	1.0867	2.7602	2.7602	1.3888	1.3888
H3	1.0867	2.1712		3.0787	2.4279	2.4279	2.6225	2.6225
H4	2.1712	1.0867	3.0787		2.9601	2.9601	2.0396	2.0396
Cl5	1.8588	2.7602	2.4279	2.9601		3.0560	3.0142	3.9989
Cl6	1.8588	2.7602	2.4279	2.9601	3.0560		3.9989	3.0142
F7	2.3506	1.3888	2.6225	2.0396	3.0142	3.9989		2.2599
F8	2.3506	1.3888	2.6225	2.0396	3.9989	3.0142	2.2599

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

using model chemistry: B3LYPultrafine/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: B3LYPultrafine/3-21G

States and conformations

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