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	hartrees
Energy at 0K	-737.763200
Energy at 298.15K	-737.767534
HF Energy	-737.763200
Nuclear repulsion energy	245.761150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3026	2.22
2	A'	3106	2941	1.00
3	A'	1509	1429	0.33
4	A'	1448	1371	50.88
5	A'	1297	1228	136.00
6	A'	1161	1100	201.50
7	A'	943	893	91.33
8	A'	691	654	67.20
9	A'	548	519	17.05
10	A'	438	415	1.33
11	A'	302	286	0.90
12	A"	3214	3043	1.12
13	A"	1508	1428	0.87
14	A"	1299	1230	190.82
15	A"	1013	959	27.77
16	A"	427	404	0.05
17	A"	338	320	0.64
18	A"	247	234	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.352	0.001	0.000
C2	-0.812	1.433	0.000
Cl3	1.435	-0.134	0.000
F4	-0.812	-0.647	1.081
F5	-0.812	-0.647	-1.081
H6	-1.905	1.433	0.000
H7	-0.444	1.940	0.892
H8	-0.444	1.940	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5037	1.7921	1.3421	1.3421	2.1122	2.1360	2.1360
C2	1.5037		2.7393	2.3440	2.3440	1.0927	1.0902	1.0902
Cl3	1.7921	2.7393		2.5462	2.5462	3.6891	2.9372	2.9372
F4	1.3421	2.3440	2.5462		2.1627	2.5863	2.6195	3.2744
F5	1.3421	2.3440	2.5462	2.1627		2.5863	3.2744	2.6195
H6	2.1122	1.0927	3.6891	2.5863	2.5863		1.7851	1.7851
H7	2.1360	1.0902	2.9372	2.6195	3.2744	1.7851		1.7847
H8	2.1360	1.0902	2.9372	3.2744	2.6195	1.7851	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.831	C1	C2	H7	109.839
C1	C2	H8	109.839	C2	C1	Cl3	112.139
C2	C1	F4	110.780	C2	C1	F5	110.780
Cl3	C1	F4	107.795	Cl3	C1	F5	107.795
F4	C1	F5	107.360	H6	C2	H7	109.717
H6	C2	H8	109.717	H7	C2	H8	109.868

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

using model chemistry: M06-2X/6-31G*

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	0.473
2	C	-0.529
3	Cl	-0.037
4	F	-0.259
5	F	-0.259
6	H	0.204
7	H	0.204
8	H	0.204

	x	y	z	Total
	-0.916	1.981	0.000	2.183
CHELPG
AIM
ESP

	x	y	z
x	6.075	-0.378	0.000
y	-0.378	4.171	0.000
z	0.000	0.000	4.017

<r²>	129.504
(<r²>)^1/2	11.380

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

using model chemistry: M06-2X/6-31G*

States and conformations

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