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	hartrees
Energy at 0K	-737.791980
Energy at 298.15K	-737.796144
HF Energy	-737.791980
Nuclear repulsion energy	242.401223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3061	5.35
2	A'	3024	2972	3.59
3	A'	1460	1435	0.84
4	A'	1393	1369	29.18
5	A'	1187	1166	135.83
6	A'	1102	1083	163.13
7	A'	859	844	148.04
8	A'	641	630	68.89
9	A'	519	510	12.89
10	A'	402	395	6.37
11	A'	295	290	1.12
12	A"	3131	3077	3.43
13	A"	1457	1432	3.00
14	A"	1154	1134	160.11
15	A"	931	915	92.29
16	A"	420	412	0.22
17	A"	319	314	0.40
18	A"	243	239	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.356	0.008	0.000
C2	-0.823	1.446	0.000
Cl3	1.454	-0.128	0.000
F4	-0.823	-0.662	1.099
F5	-0.823	-0.662	-1.099
H6	-1.920	1.454	0.000
H7	-0.451	1.955	0.894
H8	-0.451	1.955	-0.894

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5121	1.8154	1.3691	1.3691	2.1302	2.1444	2.1444
C2	1.5121		2.7685	2.3773	2.3773	1.0967	1.0943	1.0943
Cl3	1.8154	2.7685		2.5846	2.5846	3.7267	2.9604	2.9604
F4	1.3691	2.3773	2.5846		2.1971	2.6246	2.6513	3.3104
F5	1.3691	2.3773	2.5846	2.1971		2.6246	3.3104	2.6513
H6	2.1302	1.0967	3.7267	2.6246	2.6246		1.7916	1.7916
H7	2.1444	1.0943	2.9604	2.6513	3.3104	1.7916		1.7884
H8	2.1444	1.0943	2.9604	3.3104	2.6513	1.7916	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.265	C1	C2	H7	110.029
C1	C2	H8	110.029	C2	C1	Cl3	111.751
C2	C1	F4	110.741	C2	C1	F5	110.741
Cl3	C1	F4	107.991	Cl3	C1	F5	107.991
F4	C1	F5	107.464	H6	C2	H7	109.493
H6	C2	H8	109.493	H7	C2	H8	109.511

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

using model chemistry: B97D3/6-31+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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Number	Element	Mulliken
1	C	0.262
2	C	-0.466
3	Cl	0.043
4	F	-0.211
5	F	-0.211
6	H	0.191
7	H	0.195
8	H	0.195

	x	y	z	Total
	-0.746	2.254	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	7.139	-0.320	0.000
y	-0.320	5.425	0.000
z	0.000	0.000	5.188

<r²>	132.811
(<r²>)^1/2	11.524

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

using model chemistry: B97D3/6-31+G**

States and conformations

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