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	hartrees
Energy at 0K	-737.939664
Energy at 298.15K	-737.943786
HF Energy	-737.939664
Nuclear repulsion energy	240.933108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3053	8.08
2	A'	2990	2982	4.24
3	A'	1461	1458	1.28
4	A'	1395	1391	26.37
5	A'	1173	1170	144.87
6	A'	1099	1097	148.47
7	A'	845	843	148.44
8	A'	628	627	77.25
9	A'	516	515	15.13
10	A'	388	387	9.74
11	A'	288	287	0.65
12	A"	3080	3073	6.26
13	A"	1459	1455	2.82
14	A"	1160	1157	139.83
15	A"	925	923	90.15
16	A"	412	411	0.09
17	A"	316	315	0.47
18	A"	248	248	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.369	0.006	0.000
C2	-0.831	1.449	0.000
Cl3	1.472	-0.129	0.000
F4	-0.831	-0.663	1.102
F5	-0.831	-0.663	-1.102
H6	-1.930	1.460	0.000
H7	-0.464	1.964	0.895
H8	-0.464	1.964	-0.895

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5154	1.8458	1.3688	1.3688	2.1335	2.1555	2.1555
C2	1.5154		2.7915	2.3814	2.3814	1.0989	1.0958	1.0958
Cl3	1.8458	2.7915		2.6083	2.6083	3.7545	2.9881	2.9881
F4	1.3688	2.3814	2.6083		2.2030	2.6316	2.6606	3.3196
F5	1.3688	2.3814	2.6083	2.2030		2.6316	3.3196	2.6606
H6	2.1335	1.0989	3.7545	2.6316	2.6316		1.7899	1.7899
H7	2.1555	1.0958	2.9881	2.6606	3.3196	1.7899		1.7891
H8	2.1555	1.0958	2.9881	3.3196	2.6606	1.7899	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.335	C1	C2	H7	110.234
C1	C2	H8	110.234	C2	C1	Cl3	111.930
C2	C1	F4	111.216	C2	C1	F5	111.216
Cl3	C1	F4	107.540	Cl3	C1	F5	107.540
F4	C1	F5	107.170	H6	C2	H7	109.287
H6	C2	H8	109.287	H7	C2	H8	109.439

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

using model chemistry: BLYP/6-311G*

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	0.346
2	C	-0.613
3	Cl	-0.086
4	F	-0.174
5	F	-0.174
6	H	0.229
7	H	0.236
8	H	0.236

	x	y	z	Total
	-1.038	2.096	0.000	2.339
CHELPG
AIM
ESP

	x	y	z
x	6.882	-0.491	0.000
y	-0.491	4.584	0.000
z	0.000	0.000	4.227

<r²>	134.568
(<r²>)^1/2	11.600

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

using model chemistry: BLYP/6-311G*

States and conformations

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