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	hartrees
Energy at 0K	-737.921555
Energy at 298.15K	-737.925741
HF Energy	-737.921555
Nuclear repulsion energy	243.198278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3094	3051	6.82
2	A'	3012	2970	3.62
3	A'	1454	1433	0.42
4	A'	1384	1364	28.76
5	A'	1188	1172	134.28
6	A'	1097	1082	151.13
7	A'	860	848	129.76
8	A'	643	634	66.74
9	A'	528	521	13.12
10	A'	400	395	8.22
11	A'	294	290	0.98
12	A"	3113	3069	4.22
13	A"	1450	1430	2.52
14	A"	1160	1143	145.31
15	A"	937	924	76.44
16	A"	421	415	0.14
17	A"	321	316	0.40
18	A"	236	233	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.362	0.002	0.000
C2	-0.822	1.439	0.000
Cl3	1.453	-0.122	0.000
F4	-0.822	-0.662	1.092
F5	-0.822	-0.662	-1.092
H6	-1.915	1.451	0.000
H7	-0.447	1.943	0.891
H8	-0.447	1.943	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5088	1.8195	1.3580	1.3580	2.1244	2.1381	2.1381
C2	1.5088		2.7585	2.3678	2.3678	1.0937	1.0907	1.0907
Cl3	1.8195	2.7585		2.5805	2.5805	3.7175	2.9440	2.9440
F4	1.3580	2.3678	2.5805		2.1844	2.6181	2.6398	3.2958
F5	1.3580	2.3678	2.5805	2.1844		2.6181	3.2958	2.6398
H6	2.1244	1.0937	3.7175	2.6181	2.6181		1.7871	1.7871
H7	2.1381	1.0907	2.9440	2.6398	3.2958	1.7871		1.7826
H8	2.1381	1.0907	2.9440	3.2958	2.6398	1.7871	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.176	C1	C2	H7	109.976
C1	C2	H8	109.976	C2	C1	Cl3	111.414
C2	C1	F4	110.751	C2	C1	F5	110.751
Cl3	C1	F4	108.056	Cl3	C1	F5	108.056
F4	C1	F5	107.673	H6	C2	H7	109.583
H6	C2	H8	109.583	H7	C2	H8	109.528

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

using model chemistry: B97D3/cc-pVTZ

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	0.380
2	C	-0.244
3	Cl	-0.152
4	F	-0.150
5	F	-0.150
6	H	0.102
7	H	0.107
8	H	0.107

	x	y	z	Total
	-0.883	1.982	0.000	2.170
CHELPG
AIM
ESP

	x	y	z
x	7.014	-0.434	0.000
y	-0.434	5.302	0.000
z	0.000	0.000	4.910

<r²>	131.854
(<r²>)^1/2	11.483

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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