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	hartrees
Energy at 0K	-76.420998
Energy at 298.15K	-76.425188
HF Energy	-76.420998
Nuclear repulsion energy	105.847037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3054	12.51
2	A'	3080	2974	6.00
3	A'	1479	1428	0.59
4	A'	1419	1370	34.09
5	A'	1228	1186	137.90
6	A'	1129	1090	196.30
7	A'	893	862	119.82
8	A'	660	637	60.03
9	A'	527	509	15.97
10	A'	417	403	2.66
11	A'	290	280	1.15
12	A"	3180	3071	11.84
13	A"	1478	1427	1.99
14	A"	1204	1163	198.42
15	A"	967	934	56.40
16	A"	416	402	0.02
17	A"	321	310	0.63
18	A"	240	232	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.358	0.004	0.000
C2	-0.827	1.460	0.000
Cl3	1.460	-0.135	0.000
F4	-0.827	-0.661	1.095
F5	-0.827	-0.661	-1.095
H6	-1.930	1.465	0.000
H7	-0.452	1.969	0.900
H8	-0.452	1.969	-0.900

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5297	1.8231	1.3649	1.3649	2.1458	2.1634	2.1634
C2	1.5297		2.7881	2.3876	2.3876	1.1028	1.1001	1.1001
Cl3	1.8231	2.7881		2.5898	2.5898	3.7482	2.9820	2.9820
F4	1.3649	2.3876	2.5898		2.1909	2.6339	2.6643	3.3231
F5	1.3649	2.3876	2.5898	2.1909		2.6339	3.3231	2.6643
H6	2.1458	1.1028	3.7482	2.6339	2.6339		1.8024	1.8024
H7	2.1634	1.1001	2.9820	2.6643	3.3231	1.8024		1.8007
H8	2.1634	1.1001	2.9820	3.3231	2.6643	1.8024	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.107	C1	C2	H7	109.623
C1	C2	H8	109.623	C2	C1	Cl3	112.233
C2	C1	F4	111.022	C2	C1	F5	111.022
Cl3	C1	F4	107.788	Cl3	C1	F5	107.788
F4	C1	F5	106.751	H6	C2	H7	109.808
H6	C2	H8	109.808	H7	C2	H8	109.847

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

using model chemistry: B3LYP/CEP-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	0.114
2	C	-0.337
3	Cl	-0.096
4	F	-0.109
5	F	-0.109
6	H	0.178
7	H	0.180
8	H	0.180

	x	y	z	Total
	-0.761	2.306	0.000	2.428
CHELPG
AIM
ESP

	x	y	z
x	6.354	-0.339	0.000
y	-0.339	4.400	0.000
z	0.000	0.000	3.974

<r²>	96.238
(<r²>)^1/2	9.810

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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