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	hartrees
Energy at 0K	-737.517239
Energy at 298.15K	-737.521428
HF Energy	-737.517239
Nuclear repulsion energy	242.898549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3053	5.96
2	A'	3003	2972	2.77
3	A'	1448	1433	1.07
4	A'	1382	1368	43.01
5	A'	1199	1186	137.84
6	A'	1099	1087	176.38
7	A'	867	858	128.52
8	A'	645	639	75.45
9	A'	525	520	14.58
10	A'	405	401	6.46
11	A'	291	288	0.74
12	A"	3104	3071	3.93
13	A"	1446	1431	2.58
14	A"	1172	1160	167.72
15	A"	939	929	66.62
16	A"	416	412	0.07
17	A"	321	318	0.53
18	A"	255	252	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.362	0.003	0.000
C2	-0.822	1.437	0.000
Cl3	1.455	-0.124	0.000
F4	-0.822	-0.661	1.095
F5	-0.822	-0.661	-1.095
H6	-1.922	1.449	0.000
H7	-0.454	1.953	0.895
H8	-0.454	1.953	-0.895

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5067	1.8207	1.3604	1.3604	2.1275	2.1484	2.1484
C2	1.5067		2.7603	2.3664	2.3664	1.0999	1.0970	1.0970
Cl3	1.8207	2.7603		2.5826	2.5826	3.7247	2.9593	2.9593
F4	1.3604	2.3664	2.5826		2.1900	2.6190	2.6473	3.3060
F5	1.3604	2.3664	2.5826	2.1900		2.6190	3.3060	2.6473
H6	2.1275	1.0999	3.7247	2.6190	2.6190		1.7919	1.7919
H7	2.1484	1.0970	2.9593	2.6473	3.3060	1.7919		1.7906
H8	2.1484	1.0970	2.9593	3.3060	2.6473	1.7919	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.399	C1	C2	H7	110.209
C1	C2	H8	110.209	C2	C1	Cl3	111.762
C2	C1	F4	111.152	C2	C1	F5	111.152
Cl3	C1	F4	107.677	Cl3	C1	F5	107.677
F4	C1	F5	107.210	H6	C2	H7	109.303
H6	C2	H8	109.303	H7	C2	H8	109.395

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

using model chemistry: PBEPBE/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	0.306
2	C	-0.669
3	Cl	-0.072
4	F	-0.161
5	F	-0.161
6	H	0.248
7	H	0.254
8	H	0.254

	x	y	z	Total
	-1.003	2.047	0.000	2.279
CHELPG
AIM
ESP

	x	y	z
x	6.730	-0.468	0.000
y	-0.468	4.561	0.000
z	0.000	0.000	4.200

<r²>	132.443
(<r²>)^1/2	11.508

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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