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	hartrees
Energy at 0K	-737.605837
Energy at 298.15K	-737.610200
HF Energy	-737.605837
Nuclear repulsion energy	245.784720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3045	3.73
2	A'	3082	2960	1.45
3	A'	1473	1415	0.50
4	A'	1422	1366	54.39
5	A'	1256	1207	138.12
6	A'	1139	1094	206.89
7	A'	915	879	115.53
8	A'	684	657	67.54
9	A'	549	527	16.44
10	A'	434	416	2.69
11	A'	306	294	1.03
12	A"	3188	3062	2.18
13	A"	1474	1416	1.95
14	A"	1229	1180	194.89
15	A"	983	944	48.00
16	A"	434	416	0.03
17	A"	338	324	0.63
18	A"	257	247	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.353	0.003	0.000
C2	-0.812	1.428	0.000
Cl3	1.435	-0.128	0.000
F4	-0.812	-0.651	1.081
F5	-0.812	-0.651	-1.081
H6	-1.904	1.435	0.000
H7	-0.444	1.937	0.890
H8	-0.444	1.937	-0.890

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4978	1.7927	1.3440	1.3440	2.1109	2.1314	2.1314
C2	1.4978		2.7329	2.3438	2.3438	1.0919	1.0893	1.0893
Cl3	1.7927	2.7329		2.5477	2.5477	3.6862	2.9300	2.9300
F4	1.3440	2.3438	2.5477		2.1617	2.5908	2.6214	3.2742
F5	1.3440	2.3438	2.5477	2.1617		2.5908	3.2742	2.6214
H6	2.1109	1.0919	3.6862	2.5908	2.5908		1.7822	1.7822
H7	2.1314	1.0893	2.9300	2.6214	3.2742	1.7822		1.7802
H8	2.1314	1.0893	2.9300	3.2742	2.6214	1.7822	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.177	C1	C2	H7	109.941
C1	C2	H8	109.941	C2	C1	Cl3	112.003
C2	C1	F4	111.013	C2	C1	F5	111.013
Cl3	C1	F4	107.766	Cl3	C1	F5	107.766
F4	C1	F5	107.067	H6	C2	H7	109.582
H6	C2	H8	109.582	H7	C2	H8	109.598

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

using model chemistry: HSEh1PBE/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	-0.332
3	Cl	-0.074
4	F	-0.189
5	F	-0.189
6	H	0.156
7	H	0.161
8	H	0.161

	x	y	z	Total
	-0.882	2.142	0.000	2.316
CHELPG
AIM
ESP

	x	y	z
x	6.367	-0.438	0.000
y	-0.438	4.378	0.000
z	0.000	0.000	4.041

<r²>	129.753
(<r²>)^1/2	11.391

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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