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	hartrees
Energy at 0K	-1195.657519
Energy at 298.15K	-1195.661127
HF Energy	-1194.741662
Nuclear repulsion energy	378.749969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3020	9.59
2	A'	3232	3008	4.47
3	A'	1475	1373	40.53
4	A'	1301	1211	0.70
5	A'	1186	1103	102.60
6	A'	1109	1032	44.22
7	A'	829	771	30.53
8	A'	577	537	7.67
9	A'	412	383	20.04
10	A'	357	333	10.72
11	A'	260	242	0.20
12	A"	1410	1312	13.48
13	A"	1316	1225	22.15
14	A"	1176	1095	158.07
15	A"	874	813	109.93
16	A"	410	382	0.71
17	A"	188	175	1.39
18	A"	86	80	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.231	0.000
C2	-0.359	1.086	0.000
H3	1.481	-0.063	0.000
H4	-1.432	0.917	0.000
Cl5	-0.007	-1.135	1.466
Cl6	-0.007	-1.135	-1.466
F7	-0.007	1.812	1.096
F8	-0.007	1.812	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5241	1.0856	2.1687	1.7718	1.7718	2.3555	2.3555
C2	1.5241		2.1687	1.0856	2.6847	2.6847	1.3611	1.3611
H3	1.0856	2.1687		3.0726	2.3477	2.3477	2.6321	2.6321
H4	2.1687	1.0856	3.0726		2.8973	2.8973	2.0079	2.0079
Cl5	1.7718	2.6847	2.3477	2.8973		2.9327	2.9707	3.9054
Cl6	1.7718	2.6847	2.3477	2.8973	2.9327		3.9054	2.9707
F7	2.3555	1.3611	2.6321	2.0079	2.9707	3.9054		2.1916
F8	2.3555	1.3611	2.6321	2.0079	3.9054	2.9707	2.1916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.296	C1	C2	F7	109.321
C1	C2	F8	109.321	C2	C1	H3	111.296
C2	C1	Cl5	108.854	C2	C1	Cl6	108.854
H3	C1	Cl5	108.077	H3	C1	Cl6	108.077
H4	C2	F7	109.789	H4	C2	F8	109.789
Cl5	C1	Cl6	111.700	F7	C2	F8	107.234

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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