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	hartrees
Energy at 0K	-1196.273311
Energy at 298.15K	-1196.276941
HF Energy	-1194.912231
Nuclear repulsion energy	381.362934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	2995	11.38
2	A'	3197	2981	5.05
3	A'	1468	1369	43.23
4	A'	1300	1212	3.70
5	A'	1195	1114	113.96
6	A'	1118	1042	25.55
7	A'	829	773	28.28
8	A'	600	560	7.94
9	A'	413	385	14.72
10	A'	348	325	10.34
11	A'	257	240	0.24
12	A"	1425	1329	13.66
13	A"	1277	1191	12.52
14	A"	1210	1128	154.69
15	A"	871	812	106.14
16	A"	413	385	0.99
17	A"	187	174	1.11
18	A"	83	78	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.225	0.000
C2	-0.354	1.089	0.000
H3	1.470	-0.052	0.000
H4	-1.418	0.916	0.000
Cl5	-0.007	-1.131	1.458
Cl6	-0.007	-1.131	-1.458
F7	-0.007	1.801	1.081
F8	-0.007	1.801	-1.081

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5171	1.0788	2.1511	1.7654	1.7654	2.3327	2.3327
C2	1.5171		2.1511	1.0788	2.6783	2.6783	1.3401	1.3401
H3	1.0788	2.1511		3.0464	2.3393	2.3393	2.6044	2.6044
H4	2.1511	1.0788	3.0464		2.8823	2.8823	1.9860	1.9860
Cl5	1.7654	2.6783	2.3393	2.8823		2.9159	2.9557	3.8784
Cl6	1.7654	2.6783	2.3393	2.8823	2.9159		3.8784	2.9557
F7	2.3327	1.3401	2.6044	1.9860	2.9557	3.8784		2.1625
F8	2.3327	1.3401	2.6044	1.9860	3.8784	2.9557	2.1625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.791	C1	C2	F7	109.303
C1	C2	F8	109.303	C2	C1	H3	110.791
C2	C1	Cl5	109.124	C2	C1	Cl6	109.124
H3	C1	Cl5	108.229	H3	C1	Cl6	108.229
H4	C2	F7	109.903	H4	C2	F8	109.903
Cl5	C1	Cl6	111.344	F7	C2	F8	107.576

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

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ

States and conformations

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