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	hartrees
Energy at 0K	-737.783875
Energy at 298.15K	-737.788209
HF Energy	-737.783875
Nuclear repulsion energy	245.628139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3032	1.65
2	A'	3090	2942	1.08
3	A'	1487	1416	0.56
4	A'	1430	1361	51.89
5	A'	1272	1211	127.43
6	A'	1151	1096	212.46
7	A'	933	888	97.67
8	A'	694	661	58.30
9	A'	545	519	16.62
10	A'	442	421	0.61
11	A'	303	289	1.47
12	A"	3199	3046	0.72
13	A"	1484	1413	2.21
14	A"	1249	1189	199.96
15	A"	993	945	39.43
16	A"	429	409	0.00
17	A"	337	321	0.46
18	A"	238	227	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.345	0.009	0.000
C2	-0.812	1.438	0.000
Cl3	1.433	-0.137	0.000
F4	-0.812	-0.648	1.082
F5	-0.812	-0.648	-1.082
H6	-1.904	1.436	0.000
H7	-0.443	1.943	0.892
H8	-0.443	1.943	-0.892

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5034	1.7837	1.3493	1.3493	2.1136	2.1326	2.1326
C2	1.5034		2.7424	2.3501	2.3501	1.0921	1.0901	1.0901
Cl3	1.7837	2.7424		2.5438	2.5438	3.6892	2.9397	2.9397
F4	1.3493	2.3501	2.5438		2.1636	2.5898	2.6249	3.2789
F5	1.3493	2.3501	2.5438	2.1636		2.5898	3.2789	2.6249
H6	2.1136	1.0921	3.6892	2.5898	2.5898		1.7862	1.7862
H7	2.1326	1.0901	2.9397	2.6249	3.2789	1.7862		1.7845
H8	2.1326	1.0901	2.9397	3.2789	2.6249	1.7862	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	107.990	C1	C2	H7	109.596
C1	C2	H8	109.596	C2	C1	Cl3	112.807
C2	C1	F4	110.825	C2	C1	F5	110.825
Cl3	C1	F4	107.762	Cl3	C1	F5	107.762
F4	C1	F5	106.595	H6	C2	H7	109.877
H6	C2	H8	109.877	H7	C2	H8	109.876

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

using model chemistry: M06-2X/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	0.319
2	C	-0.481
3	Cl	0.035
4	F	-0.235
5	F	-0.235
6	H	0.197
7	H	0.201
8	H	0.201

	x	y	z	Total
	-0.642	2.284	0.000	2.373
CHELPG
AIM
ESP

	x	y	z
x	6.715	-0.318	0.000
y	-0.318	5.061	0.000
z	0.000	0.000	4.885

<r²>	130.020
(<r²>)^1/2	11.403

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

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

States and conformations

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