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	hartrees
Energy at 0K	-737.537291
Energy at 298.15K	-737.541615
HF Energy	-737.537291
Nuclear repulsion energy	245.328825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3068	2.27
2	A'	3088	2971	1.54
3	A'	1449	1394	0.13
4	A'	1403	1349	64.54
5	A'	1261	1213	126.21
6	A'	1129	1086	204.31
7	A'	915	880	98.82
8	A'	680	654	62.91
9	A'	547	526	16.22
10	A'	432	415	2.22
11	A'	305	293	1.08
12	A"	3208	3086	0.95
13	A"	1448	1393	1.01
14	A"	1234	1187	204.75
15	A"	978	940	36.47
16	A"	428	412	0.00
17	A"	332	320	0.64
18	A"	246	236	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.355	0.002	0.000
C2	-0.813	1.430	0.000
Cl3	1.437	-0.126	0.000
F4	-0.813	-0.654	1.082
F5	-0.813	-0.654	-1.082
H6	-1.912	1.438	0.000
H7	-0.441	1.941	0.896
H8	-0.441	1.941	-0.896

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4994	1.7966	1.3459	1.3459	2.1185	2.1377	2.1377
C2	1.4994		2.7354	2.3482	2.3482	1.0995	1.0966	1.0966
Cl3	1.7966	2.7354		2.5520	2.5520	3.6966	2.9331	2.9331
F4	1.3459	2.3482	2.5520		2.1643	2.5995	2.6279	3.2842
F5	1.3459	2.3482	2.5520	2.1643		2.5995	3.2842	2.6279
H6	2.1185	1.0995	3.6966	2.5995	2.5995		1.7944	1.7944
H7	2.1377	1.0966	2.9331	2.6279	3.2842	1.7944		1.7928
H8	2.1377	1.0966	2.9331	3.2842	2.6279	1.7944	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.217	C1	C2	H7	109.889
C1	C2	H8	109.889	C2	C1	Cl3	111.866
C2	C1	F4	111.119	C2	C1	F5	111.119
Cl3	C1	F4	107.744	Cl3	C1	F5	107.744
F4	C1	F5	107.034	H6	C2	H7	109.586
H6	C2	H8	109.586	H7	C2	H8	109.652

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.226
2	C	-0.045
3	Cl	-0.094
4	F	-0.160
5	F	-0.160
6	H	0.077
7	H	0.078
8	H	0.078

	x	y	z	Total
	-0.863	2.003	0.000	2.181
CHELPG
AIM
ESP

	x	y	z
x	6.038	-0.396	0.000
y	-0.396	4.259	0.000
z	0.000	0.000	3.975

<r²>	129.791
(<r²>)^1/2	11.393

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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