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	hartrees
Energy at 0K	-736.652927
Energy at 298.15K	-736.657333
HF Energy	-735.858445
Nuclear repulsion energy	245.321359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3066	2.24
2	A'	3154	2962	1.22
3	A'	1530	1437	1.01
4	A'	1469	1380	35.90
5	A'	1263	1186	103.83
6	A'	1181	1110	190.43
7	A'	932	876	128.53
8	A'	700	658	41.57
9	A'	537	504	13.22
10	A'	446	419	0.39
11	A'	313	294	1.48
12	A"	3274	3075	1.20
13	A"	1527	1434	3.68
14	A"	1216	1142	152.80
15	A"	987	927	80.40
16	A"	437	410	0.03
17	A"	343	322	0.35
18	A"	271	255	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.331	0.014	0.000
C2	-0.811	1.433	0.000
Cl3	1.427	-0.131	0.000
F4	-0.811	-0.653	1.094
F5	-0.811	-0.653	-1.094
H6	-1.898	1.419	0.000
H7	-0.448	1.941	0.888
H8	-0.448	1.941	-0.888

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4987	1.7637	1.3678	1.3678	2.1049	2.1249	2.1249
C2	1.4987		2.7305	2.3553	2.3553	1.0867	1.0852	1.0852
Cl3	1.7637	2.7305		2.5449	2.5449	3.6683	2.9319	2.9319
F4	1.3678	2.3553	2.5449		2.1875	2.5826	2.6266	3.2839
F5	1.3678	2.3553	2.5449	2.1875		2.5826	3.2839	2.6266
H6	2.1049	1.0867	3.6683	2.5826	2.5826		1.7782	1.7782
H7	2.1249	1.0852	2.9319	2.6266	3.2839	1.7782		1.7760
H8	2.1249	1.0852	2.9319	3.2839	2.6266	1.7782	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.947	C1	C2	H7	109.610
C1	C2	H8	109.610	C2	C1	Cl3	113.397
C2	C1	F4	110.426	C2	C1	F5	110.426
Cl3	C1	F4	108.051	Cl3	C1	F5	108.051
F4	C1	F5	106.194	H6	C2	H7	109.910
H6	C2	H8	109.910	H7	C2	H8	109.824

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

using model chemistry: MP2=FULL/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 CH3CF2Cl (1-Chloro-1,1-Difluoroethane)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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