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	hartrees
Energy at 0K	-736.625874
Energy at 298.15K	-736.630318
HF Energy	-735.847567
Nuclear repulsion energy	245.558401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3045	5.65
2	A'	3150	2954	1.93
3	A'	1545	1448	0.38
4	A'	1488	1395	33.97
5	A'	1302	1221	127.43
6	A'	1202	1127	178.00
7	A'	961	901	94.67
8	A'	707	662	43.66
9	A'	548	514	15.29
10	A'	448	420	0.39
11	A'	312	293	0.99
12	A"	3261	3057	4.25
13	A"	1543	1447	1.24
14	A"	1296	1215	162.76
15	A"	1031	967	39.96
16	A"	438	411	0.05
17	A"	345	323	0.56
18	A"	273	256	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.339	0.004	0.000
C2	-0.812	1.432	0.000
Cl3	1.431	-0.131	0.000
F4	-0.812	-0.650	1.088
F5	-0.812	-0.650	-1.088
H6	-1.900	1.421	0.000
H7	-0.451	1.941	0.889
H8	-0.451	1.941	-0.889

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5039	1.7759	1.3544	1.3544	2.1084	2.1337	2.1337
C2	1.5039		2.7344	2.3485	2.3485	1.0881	1.0861	1.0861
Cl3	1.7759	2.7344		2.5469	2.5469	3.6757	2.9369	2.9369
F4	1.3544	2.3485	2.5469		2.1754	2.5799	2.6230	3.2783
F5	1.3544	2.3485	2.5469	2.1754		2.5799	3.2783	2.6230
H6	2.1084	1.0881	3.6757	2.5799	2.5799		1.7779	1.7779
H7	2.1337	1.0861	2.9369	2.6230	3.2783	1.7779		1.7776
H8	2.1337	1.0861	2.9369	3.2783	2.6230	1.7779	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.783	C1	C2	H7	109.883
C1	C2	H8	109.883	C2	C1	Cl3	112.703
C2	C1	F4	110.386	C2	C1	F5	110.386
Cl3	C1	F4	108.150	Cl3	C1	F5	108.150
F4	C1	F5	106.856	H6	C2	H7	109.717
H6	C2	H8	109.717	H7	C2	H8	109.829

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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