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	hartrees
Energy at 0K	-1196.242788
Energy at 298.15K	-1196.246379
HF Energy	-1194.911624
Nuclear repulsion energy	381.465971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3027	11.58
2	A'	3172	3012	5.10
3	A'	1440	1367	37.13
4	A'	1278	1213	2.58
5	A'	1171	1111	102.37
6	A'	1102	1046	35.33
7	A'	824	782	27.79
8	A'	588	558	6.53
9	A'	408	387	13.77
10	A'	345	328	10.17
11	A'	256	243	0.22
12	A"	1399	1328	9.46
13	A"	1258	1194	14.10
14	A"	1163	1104	157.91
15	A"	863	820	108.88
16	A"	409	388	0.83
17	A"	185	176	1.07
18	A"	85	80	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.227	0.000
C2	-0.354	1.083	0.000
H3	1.475	-0.052	0.000
H4	-1.421	0.908	0.000
Cl5	-0.007	-1.129	1.454
Cl6	-0.007	-1.129	-1.454
F7	-0.007	1.799	1.088
F8	-0.007	1.799	-1.088

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5155	1.0816	2.1525	1.7605	1.7605	2.3369	2.3369
C2	1.5155		2.1525	1.0816	2.6698	2.6698	1.3481	1.3481
H3	1.0816	2.1525		3.0511	2.3387	2.3387	2.6089	2.6089
H4	2.1525	1.0816	3.0511		2.8747	2.8747	1.9946	1.9946
Cl5	1.7605	2.6698	2.3387	2.8747		2.9082	2.9506	3.8777
Cl6	1.7605	2.6698	2.3387	2.8747	2.9082		3.8777	2.9506
F7	2.3369	1.3481	2.6089	1.9946	2.9506	3.8777		2.1768
F8	2.3369	1.3481	2.6089	1.9946	3.8777	2.9506	2.1768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.847	C1	C2	F7	109.252
C1	C2	F8	109.252	C2	C1	H3	110.847
C2	C1	Cl5	108.940	C2	C1	Cl6	108.940
H3	C1	Cl5	108.375	H3	C1	Cl6	108.375
H4	C2	F7	109.874	H4	C2	F8	109.874
Cl5	C1	Cl6	111.370	F7	C2	F8	107.679

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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