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	hartrees
Energy at 0K	-737.519741
Energy at 298.15K	-737.524058
HF Energy	-737.519741
Nuclear repulsion energy	246.268352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3046	3.42
2	A'	3085	2955	1.84
3	A'	1474	1411	0.15
4	A'	1414	1354	47.78
5	A'	1267	1214	119.11
6	A'	1132	1084	183.92
7	A'	921	882	86.86
8	A'	683	654	62.05
9	A'	551	528	14.70
10	A'	432	414	2.83
11	A'	301	289	0.99
12	A"	3200	3065	1.58
13	A"	1473	1411	1.01
14	A"	1252	1199	170.15
15	A"	992	950	27.15
16	A"	427	409	0.00
17	A"	331	317	0.60
18	A"	242	232	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.359	-0.003	0.000
C2	-0.810	1.431	0.000
Cl3	1.433	-0.128	0.000
F4	-0.810	-0.651	1.075
F5	-0.810	-0.651	-1.075
H6	-1.903	1.447	0.000
H7	-0.436	1.937	0.891
H8	-0.436	1.937	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5033	1.7961	1.3339	1.3339	2.1175	2.1357	2.1357
C2	1.5033		2.7312	2.3434	2.3434	1.0932	1.0902	1.0902
Cl3	1.7961	2.7312		2.5412	2.5412	3.6884	2.9238	2.9238
F4	1.3339	2.3434	2.5412		2.1508	2.5981	2.6207	3.2711
F5	1.3339	2.3434	2.5412	2.1508		2.5981	3.2711	2.6207
H6	2.1175	1.0932	3.6884	2.5981	2.5981		1.7846	1.7846
H7	2.1357	1.0902	2.9238	2.6207	3.2711	1.7846		1.7817
H8	2.1357	1.0902	2.9238	3.2711	2.6207	1.7846	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.238	C1	C2	H7	109.847
C1	C2	H8	109.847	C2	C1	Cl3	111.436
C2	C1	F4	111.232	C2	C1	F5	111.232
Cl3	C1	F4	107.645	Cl3	C1	F5	107.645
F4	C1	F5	107.455	H6	C2	H7	109.642
H6	C2	H8	109.642	H7	C2	H8	109.604

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.319
2	C	-0.515
3	Cl	-0.168
4	F	-0.089
5	F	-0.089
6	H	0.177
7	H	0.182
8	H	0.182

	x	y	z	Total
	-1.009	1.840	0.000	2.099
CHELPG
AIM
ESP

	x	y	z
x	6.449	-0.398	0.000
y	-0.398	4.874	0.000
z	0.000	0.000	4.597

<r²>	128.931
(<r²>)^1/2	11.355

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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