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	hartrees
Energy at 0K	-736.199378
Energy at 298.15K	-736.203592
HF Energy	-735.722915
Nuclear repulsion energy	237.263340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3060	2.25
2	A'	3102	2968	0.70
3	A'	1557	1489	4.06
4	A'	1505	1440	23.19
5	A'	1254	1200	113.70
6	A'	1195	1143	145.05
7	A'	888	850	130.15
8	A'	632	605	69.11
9	A'	495	474	19.15
10	A'	403	385	1.04
11	A'	294	281	1.19
12	A"	3213	3074	1.68
13	A"	1553	1486	6.82
14	A"	1257	1202	107.50
15	A"	991	948	69.69
16	A"	412	394	0.16
17	A"	319	306	1.03
18	A"	264	253	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.368	0.024	0.000
C2	-0.845	1.452	0.000
Cl3	1.493	-0.130	0.000
F4	-0.845	-0.668	1.134
F5	-0.845	-0.668	-1.134
H6	-1.941	1.445	0.000
H7	-0.482	1.967	0.894
H8	-0.482	1.967	-0.894

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5053	1.8674	1.4118	1.4118	2.1199	2.1420	2.1420
C2	1.5053		2.8228	2.4042	2.4042	1.0962	1.0937	1.0937
Cl3	1.8674	2.8228		2.6542	2.6542	3.7781	3.0165	3.0165
F4	1.4118	2.4042	2.6542		2.2682	2.6367	2.6711	3.3451
F5	1.4118	2.4042	2.6542	2.2682		2.6367	3.3451	2.6711
H6	2.1199	1.0962	3.7781	2.6367	2.6367		1.7888	1.7888
H7	2.1420	1.0937	3.0165	2.6711	3.3451	1.7888		1.7877
H8	2.1420	1.0937	3.0165	3.3451	2.6711	1.7888	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.123	C1	C2	H7	109.996
C1	C2	H8	109.996	C2	C1	Cl3	113.202
C2	C1	F4	110.967	C2	C1	F5	110.967
Cl3	C1	F4	107.257	Cl3	C1	F5	107.257
F4	C1	F5	106.886	H6	C2	H7	109.539
H6	C2	H8	109.539	H7	C2	H8	109.625

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2/6-31G

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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CH₃CF₂Cl (1-Chloro-1,1-Difluoroethane)