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	hartrees
Energy at 0K	-737.820817
Energy at 298.15K	-737.824932
HF Energy	-737.820817
Nuclear repulsion energy	240.839819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3055	6.70
2	A'	3005	2980	3.76
3	A'	1475	1463	0.81
4	A'	1405	1393	20.81
5	A'	1199	1189	140.59
6	A'	1107	1098	144.21
7	A'	864	857	123.45
8	A'	629	624	74.33
9	A'	515	511	14.41
10	A'	388	385	9.11
11	A'	287	284	0.61
12	A"	3101	3076	5.06
13	A"	1473	1461	1.40
14	A"	1196	1187	152.15
15	A"	956	948	59.24
16	A"	409	406	0.00
17	A"	313	310	0.62
18	A"	251	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.361	-0.008	0.000
C2	-0.828	1.446	0.000
Cl3	1.465	-0.129	0.000
F4	-0.828	-0.657	1.103
F5	-0.828	-0.657	-1.103
H6	-1.929	1.452	0.000
H7	-0.464	1.966	0.896
H8	-0.464	1.966	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5276	1.8300	1.3624	1.3624	2.1431	2.1707	2.1707
C2	1.5276		2.7823	2.3746	2.3746	1.1011	1.0984	1.0984
Cl3	1.8300	2.7823		2.5992	2.5992	3.7448	2.9856	2.9856
F4	1.3624	2.3746	2.5992		2.2066	2.6224	2.6562	3.3181
F5	1.3624	2.3746	2.5992	2.2066		2.6224	3.3181	2.6562
H6	2.1431	1.1011	3.7448	2.6224	2.6224		1.7931	1.7931
H7	2.1707	1.0984	2.9856	2.6562	3.3181	1.7931		1.7922
H8	2.1707	1.0984	2.9856	3.3181	2.6562	1.7931	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.138	C1	C2	H7	110.445
C1	C2	H8	110.445	C2	C1	Cl3	111.604
C2	C1	F4	110.373	C2	C1	F5	110.373
Cl3	C1	F4	108.114	Cl3	C1	F5	108.114
F4	C1	F5	108.154	H6	C2	H7	109.222
H6	C2	H8	109.222	H7	C2	H8	109.339

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.438
2	C	-0.448
3	Cl	-0.071
4	F	-0.219
5	F	-0.219
6	H	0.170
7	H	0.175
8	H	0.175

	x	y	z	Total
	-1.166	1.855	0.000	2.191
CHELPG
AIM
ESP

	x	y	z
x	6.475	-0.416	0.000
y	-0.416	4.397	0.000
z	0.000	0.000	4.189

<r²>	134.059
(<r²>)^1/2	11.578

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

using model chemistry: BLYP/6-31G*

States and conformations

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