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	hartrees
Energy at 0K	-737.843770
Energy at 298.15K	-737.848108
HF Energy	-737.843770
Nuclear repulsion energy	245.525021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3036	3.77
2	A'	3111	2950	1.83
3	A'	1513	1435	0.68
4	A'	1453	1377	44.16
5	A'	1279	1213	139.64
6	A'	1159	1099	189.08
7	A'	931	883	103.72
8	A'	684	649	66.00
9	A'	545	517	15.23
10	A'	432	410	2.53
11	A'	303	288	0.90
12	A"	3220	3053	2.42
13	A"	1513	1435	1.53
14	A"	1274	1208	186.59
15	A"	1010	957	35.78
16	A"	430	408	0.00
17	A"	334	317	0.73
18	A"	261	248	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.354	0.000	0.000
C2	-0.812	1.431	0.000
Cl3	1.437	-0.130	0.000
F4	-0.812	-0.650	1.083
F5	-0.812	-0.650	-1.083
H6	-1.905	1.438	0.000
H7	-0.446	1.942	0.891
H8	-0.446	1.942	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5024	1.7954	1.3436	1.3436	2.1149	2.1378	2.1378
C2	1.5024		2.7378	2.3457	2.3457	1.0926	1.0899	1.0899
Cl3	1.7954	2.7378		2.5497	2.5497	3.6913	2.9377	2.9377
F4	1.3436	2.3457	2.5497		2.1657	2.5934	2.6242	3.2778
F5	1.3436	2.3457	2.5497	2.1657		2.5934	3.2778	2.6242
H6	2.1149	1.0926	3.6913	2.5934	2.5934		1.7818	1.7818
H7	2.1378	1.0899	2.9377	2.6242	3.2778	1.7818		1.7811
H8	2.1378	1.0899	2.9377	3.2778	2.6242	1.7818	1.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.131	C1	C2	H7	110.095
C1	C2	H8	110.095	C2	C1	Cl3	111.927
C2	C1	F4	110.897	C2	C1	F5	110.897
Cl3	C1	F4	107.763	Cl3	C1	F5	107.763
F4	C1	F5	107.404	H6	C2	H7	109.452
H6	C2	H8	109.452	H7	C2	H8	109.593

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

using model chemistry: mPW1PW91/6-31G*

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	0.465
2	C	-0.572
3	Cl	-0.036
4	F	-0.250
5	F	-0.250
6	H	0.214
7	H	0.215
8	H	0.215

	x	y	z	Total
	-0.967	1.946	0.000	2.173
CHELPG
AIM
ESP

	x	y	z
x	6.034	-0.371	0.000
y	-0.371	4.193	0.000
z	0.000	0.000	4.014

<r²>	129.558
(<r²>)^1/2	11.382

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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