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	hartrees
Energy at 0K	-737.829212
Energy at 298.15K	-737.833568
HF Energy	-737.829212
Nuclear repulsion energy	245.022974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3046	3.13
2	A'	3101	2954	2.00
3	A'	1494	1423	1.71
4	A'	1436	1368	42.75
5	A'	1251	1192	130.61
6	A'	1150	1095	203.15
7	A'	917	874	117.48
8	A'	688	655	55.47
9	A'	543	517	14.65
10	A'	437	416	1.14
11	A'	307	293	1.43
12	A"	3210	3058	1.88
13	A"	1486	1416	3.08
14	A"	1220	1162	191.40
15	A"	986	939	61.14
16	A"	436	415	0.05
17	A"	336	320	0.52
18	A"	249	238	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.351	0.002	0.000
C2	-0.814	1.440	0.000
Cl3	1.437	-0.134	0.000
F4	-0.814	-0.651	1.084
F5	-0.814	-0.651	-1.084
H6	-1.907	1.445	0.000
H7	-0.446	1.949	0.891
H8	-0.446	1.949	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5107	1.7929	1.3477	1.3477	2.1226	2.1433	2.1433
C2	1.5107		2.7464	2.3550	2.3550	1.0927	1.0905	1.0905
Cl3	1.7929	2.7464		2.5516	2.5516	3.6979	2.9454	2.9454
F4	1.3477	2.3550	2.5516		2.1690	2.6009	2.6324	3.2858
F5	1.3477	2.3550	2.5516	2.1690		2.6009	3.2858	2.6324
H6	2.1226	1.0927	3.6979	2.6009	2.6009		1.7838	1.7838
H7	2.1433	1.0905	2.9454	2.6324	3.2858	1.7838		1.7827
H8	2.1433	1.0905	2.9454	3.2858	2.6324	1.7838	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.162	C1	C2	H7	109.917
C1	C2	H8	109.917	C2	C1	Cl3	112.189
C2	C1	F4	110.819	C2	C1	F5	110.819
Cl3	C1	F4	107.828	Cl3	C1	F5	107.828
F4	C1	F5	107.155	H6	C2	H7	109.586
H6	C2	H8	109.586	H7	C2	H8	109.651

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

using model chemistry: wB97X-D/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	0.290
2	C	-0.475
3	Cl	0.044
4	F	-0.228
5	F	-0.228
6	H	0.197
7	H	0.200
8	H	0.200

	x	y	z	Total
	-0.681	2.285	0.000	2.384
CHELPG
AIM
ESP

	x	y	z
x	6.684	-0.295	0.000
y	-0.295	5.087	0.000
z	0.000	0.000	4.914

<r²>	130.444
(<r²>)^1/2	11.421

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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