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	hartrees
Energy at 0K	-737.767085
Energy at 298.15K	-737.771265
HF Energy	-737.767085
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	3053	7.71
2	A'	3028	2969	4.29
3	A'	1484	1455	0.63
4	A'	1414	1386	26.68
5	A'	1218	1194	145.91
6	A'	1117	1095	153.78
7	A'	877	860	125.34
8	A'	641	628	74.78
9	A'	525	514	14.12
10	A'	397	390	9.26
11	A'	294	288	0.61
12	A"	3133	3072	5.69
13	A"	1483	1453	1.34
14	A"	1211	1188	165.56
15	A"	968	949	56.14
16	A"	418	409	0.01
17	A"	320	314	0.62
18	A"	255	250	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.366	-0.001	0.000
C2	-0.824	1.440	0.000
Cl3	1.459	-0.124	0.000
F4	-0.824	-0.660	1.096
F5	-0.824	-0.660	-1.096
H6	-1.922	1.453	0.000
H7	-0.452	1.951	0.895
H8	-0.452	1.951	-0.895

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5128	1.8294	1.3584	1.3584	2.1296	2.1491	2.1491
C2	1.5128		2.7676	2.3695	2.3695	1.0982	1.0952	1.0952
Cl3	1.8294	2.7676		2.5889	2.5889	3.7307	2.9592	2.9592
F4	1.3584	2.3695	2.5889		2.1924	2.6214	2.6449	3.3044
F5	1.3584	2.3695	2.5889	2.1924		2.6214	3.3044	2.6449
H6	2.1296	1.0982	3.7307	2.6214	2.6214		1.7916	1.7916
H7	2.1491	1.0952	2.9592	2.6449	3.3044	1.7916		1.7897
H8	2.1491	1.0952	2.9592	3.3044	2.6449	1.7916	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.089	C1	C2	H7	110.230
C1	C2	H8	110.230	C2	C1	Cl3	111.288
C2	C1	F4	110.511	C2	C1	F5	110.511
Cl3	C1	F4	108.119	Cl3	C1	F5	108.119
F4	C1	F5	108.186	H6	C2	H7	109.399
H6	C2	H8	109.399	H7	C2	H8	109.469

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

using model chemistry: B97D3/6-31G*

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	0.456
2	C	-0.506
3	Cl	-0.061
4	F	-0.233
5	F	-0.233
6	H	0.190
7	H	0.193
8	H	0.193

	x	y	z	Total
	-1.112	1.881	0.000	2.185
CHELPG
AIM
ESP

	x	y	z
x	6.350	-0.393	0.000
y	-0.393	4.354	0.000
z	0.000	0.000	4.152

<r²>	132.234
(<r²>)^1/2	11.499

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

using model chemistry: B97D3/6-31G*

States and conformations

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