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	hartrees
Energy at 0K	-737.859280
Energy at 298.15K	-737.863599
HF Energy	-737.859280
Nuclear repulsion energy	245.949424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3042	3.65
2	A'	3114	2956	1.66
3	A'	1508	1432	0.52
4	A'	1448	1374	45.30
5	A'	1281	1216	138.37
6	A'	1155	1096	190.44
7	A'	931	884	99.80
8	A'	681	647	68.31
9	A'	542	515	15.80
10	A'	431	409	2.21
11	A'	299	284	0.86
12	A"	3223	3060	2.33
13	A"	1508	1432	1.25
14	A"	1276	1211	188.61
15	A"	1008	957	33.52
16	A"	426	404	0.02
17	A"	332	315	0.72
18	A"	260	247	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.353	0.001	0.000
C2	-0.811	1.429	0.000
Cl3	1.434	-0.130	0.000
F4	-0.811	-0.649	1.081
F5	-0.811	-0.649	-1.081
H6	-1.902	1.435	0.000
H7	-0.445	1.938	0.890
H8	-0.445	1.938	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4997	1.7912	1.3420	1.3420	2.1112	2.1336	2.1336
C2	1.4997		2.7327	2.3420	2.3420	1.0913	1.0886	1.0886
Cl3	1.7912	2.7327		2.5448	2.5448	3.6846	2.9317	2.9317
F4	1.3420	2.3420	2.5448		2.1628	2.5887	2.6193	3.2725
F5	1.3420	2.3420	2.5448	2.1628		2.5887	3.2725	2.6193
H6	2.1112	1.0913	3.6846	2.5887	2.5887		1.7803	1.7803
H7	2.1336	1.0886	2.9317	2.6193	3.2725	1.7803		1.7795
H8	2.1336	1.0886	2.9317	3.2725	2.6193	1.7803	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.107	C1	C2	H7	110.028
C1	C2	H8	110.028	C2	C1	Cl3	111.976
C2	C1	F4	110.885	C2	C1	F5	110.885
Cl3	C1	F4	107.763	Cl3	C1	F5	107.763
F4	C1	F5	107.377	H6	C2	H7	109.510
H6	C2	H8	109.510	H7	C2	H8	109.635

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

using model chemistry: B1B95/6-31G*

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	0.452
2	C	-0.539
3	Cl	-0.034
4	F	-0.249
5	F	-0.249
6	H	0.206
7	H	0.206
8	H	0.206

	x	y	z	Total
	-0.936	1.949	0.000	2.162
CHELPG
AIM
ESP

	x	y	z
x	6.025	-0.374	0.000
y	-0.374	4.195	0.000
z	0.000	0.000	4.012

<r²>	129.134
(<r²>)^1/2	11.364

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

using model chemistry: B1B95/6-31G*

States and conformations

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