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	hartrees
Energy at 0K	-737.769230
Energy at 298.15K	-737.773528
HF Energy	-737.769230
Nuclear repulsion energy	244.755733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3052	2.68
2	A'	3085	2962	1.66
3	A'	1481	1422	0.90
4	A'	1423	1366	42.89
5	A'	1237	1188	128.73
6	A'	1136	1091	195.25
7	A'	906	870	120.84
8	A'	678	651	59.00
9	A'	536	515	14.10
10	A'	430	412	1.77
11	A'	302	290	1.46
12	A"	3194	3066	1.45
13	A"	1479	1420	3.10
14	A"	1203	1155	186.59
15	A"	972	933	61.53
16	A"	430	413	0.08
17	A"	331	318	0.50
18	A"	250	240	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.348	0.009	0.000
C2	-0.815	1.438	0.000
Cl3	1.438	-0.133	0.000
F4	-0.815	-0.653	1.087
F5	-0.815	-0.653	-1.087
H6	-1.908	1.444	0.000
H7	-0.446	1.948	0.891
H8	-0.446	1.948	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5039	1.7910	1.3558	1.3558	2.1196	2.1368	2.1368
C2	1.5039		2.7464	2.3571	2.3571	1.0931	1.0909	1.0909
Cl3	1.7910	2.7464		2.5544	2.5544	3.6984	2.9455	2.9455
F4	1.3558	2.3571	2.5544		2.1747	2.6026	2.6346	3.2889
F5	1.3558	2.3571	2.5544	2.1747		2.6026	3.2889	2.6346
H6	2.1196	1.0931	3.6984	2.6026	2.6026		1.7845	1.7845
H7	2.1368	1.0909	2.9455	2.6346	3.2889	1.7845		1.7823
H8	2.1368	1.0909	2.9455	3.2889	2.6346	1.7845	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.376	C1	C2	H7	109.855
C1	C2	H8	109.855	C2	C1	Cl3	112.633
C2	C1	F4	110.918	C2	C1	F5	110.918
Cl3	C1	F4	107.734	Cl3	C1	F5	107.734
F4	C1	F5	106.644	H6	C2	H7	109.593
H6	C2	H8	109.593	H7	C2	H8	109.551

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

using model chemistry: B3PW91/6-31+G**

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	0.257
2	C	-0.493
3	Cl	0.057
4	F	-0.216
5	F	-0.216
6	H	0.201
7	H	0.205
8	H	0.205

	x	y	z	Total
	-0.670	2.264	0.000	2.361
CHELPG
AIM
ESP

	x	y	z
x	6.764	-0.311	0.000
y	-0.311	5.151	0.000
z	0.000	0.000	4.949

<r²>	130.630
(<r²>)^1/2	11.429

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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