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	hartrees
Energy at 0K	-737.498126
Energy at 298.15K	-737.502464
HF Energy	-737.498126
Nuclear repulsion energy	245.527180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3040	3.73
2	A'	3106	2954	1.73
3	A'	1507	1433	0.60
4	A'	1448	1377	46.61
5	A'	1278	1216	136.72
6	A'	1156	1100	190.52
7	A'	931	885	101.66
8	A'	684	650	66.19
9	A'	545	518	15.11
10	A'	432	411	2.52
11	A'	304	289	0.90
12	A"	3215	3058	2.32
13	A"	1507	1433	1.43
14	A"	1272	1209	186.85
15	A"	1007	958	35.06
16	A"	430	409	0.00
17	A"	334	318	0.73
18	A"	263	250	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.354	0.000	0.000
C2	-0.812	1.430	0.000
Cl3	1.436	-0.129	0.000
F4	-0.812	-0.650	1.083
F5	-0.812	-0.650	-1.083
H6	-1.906	1.437	0.000
H7	-0.446	1.941	0.891
H8	-0.446	1.941	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5017	1.7948	1.3440	1.3440	2.1152	2.1381	2.1381
C2	1.5017		2.7364	2.3454	2.3454	1.0938	1.0911	1.0911
Cl3	1.7948	2.7364		2.5497	2.5497	3.6911	2.9366	2.9366
F4	1.3440	2.3454	2.5497		2.1664	2.5934	2.6243	3.2786
F5	1.3440	2.3454	2.5497	2.1664		2.5934	3.2786	2.6243
H6	2.1152	1.0938	3.6911	2.5934	2.5934		1.7838	1.7838
H7	2.1381	1.0911	2.9366	2.6243	3.2786	1.7838		1.7829
H8	2.1381	1.0911	2.9366	3.2786	2.6243	1.7838	1.7829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.131	C1	C2	H7	110.097
C1	C2	H8	110.097	C2	C1	Cl3	111.906
C2	C1	F4	110.890	C2	C1	F5	110.890
Cl3	C1	F4	107.780	Cl3	C1	F5	107.780
F4	C1	F5	107.407	H6	C2	H7	109.456
H6	C2	H8	109.456	H7	C2	H8	109.580

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

using model chemistry: HSEh1PBE/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	0.458
2	C	-0.568
3	Cl	-0.035
4	F	-0.247
5	F	-0.247
6	H	0.212
7	H	0.213
8	H	0.213

	x	y	z	Total
	-0.967	1.928	0.000	2.157
CHELPG
AIM
ESP

	x	y	z
x	6.048	-0.371	0.000
y	-0.371	4.206	0.000
z	0.000	0.000	4.028

<r²>	129.577
(<r²>)^1/2	11.383

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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