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	hartrees
Energy at 0K	-737.899198
Energy at 298.15K	-737.903476
HF Energy	-737.899198
Nuclear repulsion energy	243.857111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3038	5.32
2	A'	3084	2962	2.61
3	A'	1511	1451	0.73
4	A'	1448	1390	29.68
5	A'	1255	1205	142.99
6	A'	1148	1103	166.57
7	A'	911	875	118.10
8	A'	666	640	69.34
9	A'	537	515	15.44
10	A'	418	401	4.24
11	A'	300	288	0.82
12	A"	3183	3057	3.85
13	A"	1510	1450	1.49
14	A"	1251	1201	170.86
15	A"	998	959	47.25
16	A"	425	408	0.01
17	A"	329	316	0.68
18	A"	258	248	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.360	0.002	0.000
C2	-0.820	1.439	0.000
Cl3	1.450	-0.133	0.000
F4	-0.820	-0.652	1.089
F5	-0.820	-0.652	-1.089
H6	-1.914	1.446	0.000
H7	-0.453	1.950	0.892
H8	-0.453	1.950	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5086	1.8156	1.3508	1.3508	2.1213	2.1449	2.1449
C2	1.5086		2.7610	2.3574	2.3574	1.0945	1.0915	1.0915
Cl3	1.8156	2.7610		2.5709	2.5709	3.7165	2.9594	2.9594
F4	1.3508	2.3574	2.5709		2.1779	2.6047	2.6355	3.2909
F5	1.3508	2.3574	2.5709	2.1779		2.6047	3.2909	2.6355
H6	2.1213	1.0945	3.7165	2.6047	2.6047		1.7845	1.7845
H7	2.1449	1.0915	2.9594	2.6355	3.2909	1.7845		1.7836
H8	2.1449	1.0915	2.9594	3.2909	2.6355	1.7845	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.108	C1	C2	H7	110.129
C1	C2	H8	110.129	C2	C1	Cl3	111.988
C2	C1	F4	110.942	C2	C1	F5	110.942
Cl3	C1	F4	107.666	Cl3	C1	F5	107.666
F4	C1	F5	107.439	H6	C2	H7	109.436
H6	C2	H8	109.436	H7	C2	H8	109.579

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

using model chemistry: B3LYP/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	0.478
2	C	-0.492
3	Cl	-0.056
4	F	-0.247
5	F	-0.247
6	H	0.186
7	H	0.189
8	H	0.189

	x	y	z	Total
	-1.008	1.932	0.000	2.179
CHELPG
AIM
ESP

	x	y	z
x	6.152	-0.386	0.000
y	-0.386	4.226	0.000
z	0.000	0.000	4.047

<r²>	131.223
(<r²>)^1/2	11.455

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

using model chemistry: B3LYP/6-31G*

States and conformations

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