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	hartrees
Energy at 0K	-734.303212
Energy at 298.15K	-734.307395
HF Energy	-734.303212
Nuclear repulsion energy	241.339482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3046	2.72
2	A'	3091	2974	1.28
3	A'	1544	1485	1.78
4	A'	1481	1425	26.93
5	A'	1239	1192	145.37
6	A'	1158	1114	128.62
7	A'	887	854	122.44
8	A'	622	598	89.13
9	A'	507	488	19.96
10	A'	393	378	6.26
11	A'	301	289	0.27
12	A"	3191	3070	1.42
13	A"	1549	1490	3.57
14	A"	1274	1226	131.91
15	A"	1022	983	33.24
16	A"	396	381	0.46
17	A"	311	299	1.03
18	A"	259	249	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.366	-0.004	0.000
C2	-0.825	1.431	0.000
Cl3	1.460	-0.108	0.000
F4	-0.825	-0.669	1.117
F5	-0.825	-0.669	-1.117
H6	-1.919	1.443	0.000
H7	-0.457	1.937	0.892
H8	-0.457	1.937	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5062	1.8287	1.3787	1.3787	2.1225	2.1377	2.1377
C2	1.5062		2.7547	2.3783	2.3783	1.0940	1.0897	1.0897
Cl3	1.8287	2.7547		2.6041	2.6041	3.7177	2.9413	2.9413
F4	1.3787	2.3783	2.6041		2.2343	2.6277	2.6409	3.3108
F5	1.3787	2.3783	2.6041	2.2343		2.6277	3.3108	2.6409
H6	2.1225	1.0940	3.7177	2.6277	2.6277		1.7825	1.7825
H7	2.1377	1.0897	2.9413	2.6409	3.3108	1.7825		1.7847
H8	2.1377	1.0897	2.9413	3.3108	2.6409	1.7825	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.383	C1	C2	H7	109.828
C1	C2	H8	109.828	C2	C1	Cl3	111.016
C2	C1	F4	110.977	C2	C1	F5	110.977
Cl3	C1	F4	107.741	Cl3	C1	F5	107.741
F4	C1	F5	108.248	H6	C2	H7	109.419
H6	C2	H8	109.419	H7	C2	H8	109.938

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

using model chemistry: B3LYP/3-21G*

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	0.456
2	C	-0.616
3	Cl	-0.029
4	F	-0.264
5	F	-0.264
6	H	0.240
7	H	0.238
8	H	0.238

	x	y	z	Total
	-1.005	2.107	0.000	2.334
CHELPG
AIM
ESP

	x	y	z
x	5.776	-0.331	0.000
y	-0.331	3.733	0.000
z	0.000	0.000	3.699

<r²>	133.328
(<r²>)^1/2	11.547

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

using model chemistry: B3LYP/3-21G*

States and conformations

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