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	hartrees
Energy at 0K	-727.377546
Energy at 298.15K	-727.381412
HF Energy	-727.224926
Nuclear repulsion energy	236.303750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3172	0.54
2	A'	3385	3009	0.73
3	A'	1690	1503	0.69
4	A'	1576	1401	3.43
5	A'	1352	1202	100.46
6	A'	1213	1078	106.67
7	A'	975	866	60.64
8	A'	699	622	41.31
9	A'	509	453	15.17
10	A'	424	377	0.48
11	A'	288	256	1.14
12	A"	3580	3183	0.74
13	A"	1692	1504	0.26
14	A"	1438	1279	90.38
15	A"	1081	961	2.43
16	A"	409	364	2.47
17	A"	309	274	1.83
18	A"	179	159	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	-0.028	0.000
C2	-0.843	1.485	0.000
Cl3	1.497	-0.096	0.000
F4	-0.843	-0.701	1.120
F5	-0.843	-0.701	-1.120
H6	-1.946	1.534	0.000
H7	-0.450	1.985	0.901
H8	-0.450	1.985	-0.901

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5788	1.8921	1.3812	1.3812	2.2016	2.2065	2.2065
C2	1.5788		2.8239	2.4564	2.4564	1.1040	1.1023	1.1023
Cl3	1.8921	2.8239		2.6633	2.6633	3.8088	2.9890	2.9890
F4	1.3812	2.4564	2.6633		2.2399	2.7321	2.7234	3.3840
F5	1.3812	2.4564	2.6633	2.2399		2.7321	3.3840	2.7234
H6	2.2016	1.1040	3.8088	2.7321	2.7321		1.8031	1.8031
H7	2.2065	1.1023	2.9890	2.7234	3.3840	1.8031		1.8013
H8	2.2065	1.1023	2.9890	3.3840	2.7234	1.8031	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.014	C1	C2	H7	109.486
C1	C2	H8	109.486	C2	C1	Cl3	108.558
C2	C1	F4	111.999	C2	C1	F5	111.999
Cl3	C1	F4	107.883	Cl3	C1	F5	107.883
F4	C1	F5	108.358	H6	C2	H7	109.623
H6	C2	H8	109.623	H7	C2	H8	109.595

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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