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	hartrees
Energy at 0K	-1195.667973
Energy at 298.15K	-1195.671700
HF Energy	-1194.849306
Nuclear repulsion energy	381.293574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3045	20.01
2	A'	3271	3026	3.23
3	A'	1532	1417	51.16
4	A'	1348	1247	1.05
5	A'	1224	1133	142.72
6	A'	1149	1063	35.91
7	A'	855	791	36.28
8	A'	612	566	9.65
9	A'	427	395	18.66
10	A'	367	340	11.58
11	A'	270	250	0.29
12	A"	1478	1368	19.26
13	A"	1357	1256	22.74
14	A"	1237	1144	166.16
15	A"	903	836	137.04
16	A"	424	393	1.13
17	A"	195	180	1.70
18	A"	85	78	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.227	0.000
C2	-0.354	1.093	0.000
H3	1.470	-0.061	0.000
H4	-1.423	0.928	0.000
Cl5	-0.006	-1.133	1.458
Cl6	-0.006	-1.133	-1.458
F7	-0.006	1.802	1.080
F8	-0.006	1.802	-1.080

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5204	1.0818	2.1580	1.7638	1.7638	2.3343	2.3343
C2	1.5204		2.1580	1.0818	2.6833	2.6833	1.3376	1.3376
H3	1.0818	2.1580		3.0566	2.3348	2.3348	2.6109	2.6109
H4	2.1580	1.0818	3.0566		2.8940	2.8940	1.9842	1.9842
Cl5	1.7638	2.6833	2.3348	2.8940		2.9155	2.9591	3.8798
Cl6	1.7638	2.6833	2.3348	2.8940	2.9155		3.8798	2.9591
F7	2.3343	1.3376	2.6109	1.9842	2.9591	3.8798		2.1596
F8	2.3343	1.3376	2.6109	1.9842	3.8798	2.9591	2.1596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.931	C1	C2	F7	109.359
C1	C2	F8	109.359	C2	C1	H3	110.931
C2	C1	Cl5	109.356	C2	C1	Cl6	109.356
H3	C1	Cl5	107.854	H3	C1	Cl6	107.854
H4	C2	F7	109.739	H4	C2	F8	109.739
Cl5	C1	Cl6	111.482	F7	C2	F8	107.651

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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