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	hartrees
Energy at 0K	-737.521508
Energy at 298.15K	-737.525697
HF Energy	-737.521508
Nuclear repulsion energy	242.902806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3057	4.08
2	A'	3002	2974	1.71
3	A'	1428	1415	0.77
4	A'	1368	1355	43.92
5	A'	1196	1185	136.89
6	A'	1089	1079	181.13
7	A'	864	857	123.63
8	A'	645	639	74.81
9	A'	525	520	14.78
10	A'	405	401	6.48
11	A'	292	289	0.81
12	A"	3103	3075	2.31
13	A"	1427	1414	2.25
14	A"	1165	1154	171.19
15	A"	933	925	61.62
16	A"	416	412	0.09
17	A"	321	318	0.55
18	A"	248	246	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.362	0.004	0.000
C2	-0.822	1.438	0.000
Cl3	1.455	-0.125	0.000
F4	-0.822	-0.660	1.095
F5	-0.822	-0.660	-1.095
H6	-1.922	1.447	0.000
H7	-0.452	1.952	0.896
H8	-0.452	1.952	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5067	1.8210	1.3605	1.3605	2.1251	2.1459	2.1459
C2	1.5067		2.7617	2.3669	2.3669	1.0996	1.0968	1.0968
Cl3	1.8210	2.7617		2.5823	2.5823	3.7242	2.9576	2.9576
F4	1.3605	2.3669	2.5823		2.1898	2.6168	2.6452	3.3046
F5	1.3605	2.3669	2.5823	2.1898		2.6168	3.3046	2.6452
H6	2.1251	1.0996	3.7242	2.6168	2.6168		1.7938	1.7938
H7	2.1459	1.0968	2.9576	2.6452	3.3046	1.7938		1.7916
H8	2.1459	1.0968	2.9576	3.3046	2.6452	1.7938	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.232	C1	C2	H7	110.022
C1	C2	H8	110.022	C2	C1	Cl3	111.828
C2	C1	F4	111.176	C2	C1	F5	111.176
Cl3	C1	F4	107.634	Cl3	C1	F5	107.634
F4	C1	F5	107.176	H6	C2	H7	109.512
H6	C2	H8	109.512	H7	C2	H8	109.520

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

using model chemistry: PBEPBE/6-311G**

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	0.247
2	C	-0.323
3	Cl	-0.073
4	F	-0.161
5	F	-0.161
6	H	0.153
7	H	0.159
8	H	0.159

	x	y	z	Total
	-1.008	2.060	0.000	2.293
CHELPG
AIM
ESP

	x	y	z
x	6.764	-0.480	0.000
y	-0.480	4.616	0.000
z	0.000	0.000	4.232

<r²>	132.405
(<r²>)^1/2	11.507

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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