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	hartrees
Energy at 0K	-76.338664
Energy at 298.15K	-76.342709
HF Energy	-76.338664
Nuclear repulsion energy	103.416691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3076	11.62
2	A'	3080	2982	3.83
3	A'	1488	1441	3.62
4	A'	1438	1392	26.63
5	A'	1204	1166	119.81
6	A'	1145	1109	176.48
7	A'	853	826	138.84
8	A'	624	605	62.55
9	A'	488	473	19.00
10	A'	396	384	1.11
11	A'	280	271	1.68
12	A"	3192	3091	12.87
13	A"	1485	1438	7.20
14	A"	1177	1140	143.73
15	A"	923	894	89.31
16	A"	401	389	0.00
17	A"	304	294	1.02
18	A"	225	218	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.363	0.024	0.000
C2	-0.850	1.474	0.000
Cl3	1.500	-0.132	0.000
F4	-0.850	-0.677	1.131
F5	-0.850	-0.677	-1.131
H6	-1.952	1.470	0.000
H7	-0.482	1.990	0.899
H8	-0.482	1.990	-0.899

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5293	1.8705	1.4170	1.4170	2.1484	2.1646	2.1646
C2	1.5293		2.8470	2.4302	2.4302	1.1019	1.0998	1.0998
Cl3	1.8705	2.8470		2.6651	2.6651	3.8065	3.0399	3.0399
F4	1.4170	2.4302	2.6651		2.2615	2.6656	2.7023	3.3716
F5	1.4170	2.4302	2.6651	2.2615		2.6656	3.3716	2.7023
H6	2.1484	1.1019	3.8065	2.6656	2.6656		1.7996	1.7996
H7	2.1646	1.0998	3.0399	2.7023	3.3716	1.7996		1.7976
H8	2.1646	1.0998	3.0399	3.3716	2.7023	1.7996	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.385	C1	C2	H7	109.759
C1	C2	H8	109.759	C2	C1	Cl3	113.355
C2	C1	F4	111.092	C2	C1	F5	111.092
Cl3	C1	F4	107.526	Cl3	C1	F5	107.526
F4	C1	F5	105.879	H6	C2	H7	109.647
H6	C2	H8	109.647	H7	C2	H8	109.625

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

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.058
2	C	-0.258
3	Cl	0.029
4	F	-0.133
5	F	-0.133
6	H	0.186
7	H	0.184
8	H	0.184

	x	y	z	Total
	-0.669	3.034	0.000	3.107
CHELPG
AIM
ESP

	x	y	z
x	6.398	-0.283	0.000
y	-0.283	3.826	0.000
z	0.000	0.000	3.588

<r²>	100.234
(<r²>)^1/2	10.012

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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