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	hartrees
Energy at 0K	-1098.272863
Energy at 298.15K	-1098.276759
HF Energy	-1098.272863
Nuclear repulsion energy	297.398542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3170	3059	2.89
2	A'	3062	2955	3.19
3	A'	1488	1436	2.37
4	A'	1412	1362	10.99
5	A'	1200	1158	105.11
6	A'	1118	1079	66.58
7	A'	941	908	65.62
8	A'	571	551	29.05
9	A'	422	407	3.05
10	A'	358	346	1.23
11	A'	246	237	0.30
12	A"	3148	3038	5.39
13	A"	1488	1436	0.70
14	A"	1097	1059	96.03
15	A"	705	681	196.06
16	A"	384	371	2.56
17	A"	283	273	0.54
18	A"	258	249	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.023	0.343	0.000
C2	-1.175	1.275	0.000
F3	1.168	1.054	0.000
Cl4	0.023	-0.697	1.462
Cl5	0.023	-0.697	-1.462
H6	-2.105	0.705	0.000
H7	-1.127	1.902	0.893
H8	-1.127	1.902	-0.893

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5177	1.3480	1.7939	1.7939	2.1580	2.1336	2.1336
C2	1.5177		2.3532	2.7311	2.7311	1.0903	1.0927	1.0927
F3	1.3480	2.3532		2.5523	2.5523	3.2910	2.6048	2.6048
Cl4	1.7939	2.7311	2.5523		2.9242	2.9374	2.8982	3.6911
Cl5	1.7939	2.7311	2.5523	2.9242		2.9374	3.6911	2.8982
H6	2.1580	1.0903	3.2910	2.9374	2.9374		1.7850	1.7850
H7	2.1336	1.0927	2.6048	2.8982	3.6911	1.7850		1.7868
H8	2.1336	1.0927	2.6048	3.6911	2.8982	1.7850	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.612	C1	C2	H7	108.547
C1	C2	H8	108.547	C2	C1	F3	110.263
C2	C1	Cl4	110.844	C2	C1	Cl5	110.844
F3	C1	Cl4	107.804	F3	C1	Cl5	107.804
Cl4	C1	Cl5	109.180	H6	C2	H7	109.709
H6	C2	H8	109.709	H7	C2	H8	109.694

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

using model chemistry: TPSSh/6-31G(2df,p)

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 CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)