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	hartrees
Energy at 0K	-728.952407
Energy at 298.15K	-728.956151
HF Energy	-728.952407
Nuclear repulsion energy	235.379786

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3109	1.59
2	A'	3339	2955	2.71
3	A'	1645	1456	2.11
4	A'	1531	1355	8.11
5	A'	1318	1166	119.47
6	A'	1167	1033	99.48
7	A'	931	824	60.54
8	A'	666	590	52.21
9	A'	502	444	12.61
10	A'	404	357	2.53
11	A'	275	243	1.44
12	A"	3529	3123	2.54
13	A"	1644	1455	0.83
14	A"	1403	1241	124.63
15	A"	1049	928	2.94
16	A"	401	355	1.06
17	A"	293	259	1.90
18	A"	175	154	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.415	-0.035	0.000
C2	-0.848	1.476	0.000
Cl3	1.511	-0.080	0.000
F4	-0.848	-0.709	1.123
F5	-0.848	-0.709	-1.123
H6	-1.947	1.540	0.000
H7	-0.450	1.969	0.897
H8	-0.450	1.969	-0.897

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5712	1.9271	1.3790	1.3790	2.1968	2.1961	2.1961
C2	1.5712		2.8262	2.4559	2.4559	1.1012	1.0989	1.0989
Cl3	1.9271	2.8262		2.6873	2.6873	3.8192	2.9750	2.9750
F4	1.3790	2.4559	2.6873		2.2453	2.7428	2.7168	3.3778
F5	1.3790	2.4559	2.6873	2.2453		2.7428	3.3778	2.7168
H6	2.1968	1.1012	3.8192	2.7428	2.7428		1.7981	1.7981
H7	2.1961	1.0989	2.9750	2.7168	3.3778	1.7981		1.7944
H8	2.1961	1.0989	2.9750	3.3778	2.7168	1.7981	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.313	C1	C2	H7	109.389
C1	C2	H8	109.389	C2	C1	Cl3	107.341
C2	C1	F4	112.538	C2	C1	F5	112.538
Cl3	C1	F4	107.589	Cl3	C1	F5	107.589
F4	C1	F5	108.997	H6	C2	H7	109.633
H6	C2	H8	109.633	H7	C2	H8	109.470

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

using model chemistry: B3PW91/STO-3G

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	0.262
2	C	-0.246
3	Cl	-0.227
4	F	-0.055
5	F	-0.055
6	H	0.100
7	H	0.110
8	H	0.110

	x	y	z	Total
	-2.516	1.148	0.000	2.765
CHELPG
AIM
ESP

	x	y	z
x	3.867	-0.054	0.000
y	-0.054	1.944	0.000
z	0.000	0.000	2.034

<r²>	137.903
(<r²>)^1/2	11.743

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

using model chemistry: B3PW91/STO-3G

States and conformations

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