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	hartrees
Energy at 0K	-738.013914
Energy at 298.15K	-738.018211
HF Energy	-738.013914
Nuclear repulsion energy	244.049114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3139	3034	4.94
2	A'	3061	2959	2.15
3	A'	1479	1430	0.84
4	A'	1424	1377	35.65
5	A'	1231	1190	147.06
6	A'	1132	1095	178.51
7	A'	894	864	136.01
8	A'	665	643	71.20
9	A'	539	521	16.64
10	A'	418	404	4.63
11	A'	301	291	0.94
12	A"	3156	3051	3.38
13	A"	1479	1430	2.42
14	A"	1209	1168	172.02
15	A"	972	940	65.62
16	A"	428	414	0.03
17	A"	332	321	0.57
18	A"	251	243	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.359	0.005	0.000
C2	-0.820	1.438	0.000
Cl3	1.449	-0.131	0.000
F4	-0.820	-0.653	1.087
F5	-0.820	-0.653	-1.087
H6	-1.911	1.444	0.000
H7	-0.452	1.947	0.890
H8	-0.452	1.947	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5050	1.8136	1.3516	1.3516	2.1166	2.1382	2.1382
C2	1.5050		2.7585	2.3567	2.3567	1.0919	1.0891	1.0891
Cl3	1.8136	2.7585		2.5695	2.5695	3.7115	2.9542	2.9542
F4	1.3516	2.3567	2.5695		2.1740	2.6022	2.6334	3.2870
F5	1.3516	2.3567	2.5695	2.1740		2.6022	3.2870	2.6334
H6	2.1166	1.0919	3.7115	2.6022	2.6022		1.7815	1.7815
H7	2.1382	1.0891	2.9542	2.6334	3.2870	1.7815		1.7800
H8	2.1382	1.0891	2.9542	3.2870	2.6334	1.7815	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.134	C1	C2	H7	109.998
C1	C2	H8	109.998	C2	C1	Cl3	112.118
C2	C1	F4	111.064	C2	C1	F5	111.064
Cl3	C1	F4	107.649	Cl3	C1	F5	107.649
F4	C1	F5	107.070	H6	C2	H7	109.540
H6	C2	H8	109.540	H7	C2	H8	109.609

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

using model chemistry: B3LYP/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	0.326
2	C	-0.283
3	Cl	-0.083
4	F	-0.194
5	F	-0.194
6	H	0.139
7	H	0.145
8	H	0.145

	x	y	z	Total
	-0.918	2.165	0.000	2.351
CHELPG
AIM
ESP

	x	y	z
x	6.523	-0.462	0.000
y	-0.462	4.422	0.000
z	0.000	0.000	4.081

<r²>	131.546
(<r²>)^1/2	11.469

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

using model chemistry: B3LYP/6-311G**

States and conformations

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