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	hartrees
Energy at 0K	-737.852382
Energy at 298.15K	-737.856475
HF Energy	-737.852382
Nuclear repulsion energy	240.653030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3077	3061	4.25
2	A'	2998	2982	2.74
3	A'	1450	1442	1.19
4	A'	1383	1375	23.44
5	A'	1161	1155	129.72
6	A'	1092	1086	154.29
7	A'	841	837	153.03
8	A'	631	627	65.99
9	A'	507	505	12.71
10	A'	395	393	5.45
11	A'	288	286	1.24
12	A"	3094	3077	2.70
13	A"	1447	1439	3.80
14	A"	1132	1126	138.42
15	A"	908	903	106.48
16	A"	412	410	0.27
17	A"	313	311	0.38
18	A"	237	236	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.358	0.015	0.000
C2	-0.831	1.457	0.000
Cl3	1.467	-0.136	0.000
F4	-0.831	-0.662	1.106
F5	-0.831	-0.662	-1.106
H6	-1.931	1.461	0.000
H7	-0.461	1.971	0.897
H8	-0.461	1.971	-0.897

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5180	1.8305	1.3805	1.3805	2.1375	2.1550	2.1550
C2	1.5180		2.7956	2.3905	2.3905	1.1006	1.0981	1.0981
Cl3	1.8305	2.7956		2.6037	2.6037	3.7546	2.9935	2.9935
F4	1.3805	2.3905	2.6037		2.2125	2.6350	2.6676	3.3295
F5	1.3805	2.3905	2.6037	2.2125		2.6350	3.3295	2.6676
H6	2.1375	1.1006	3.7546	2.6350	2.6350		1.7963	1.7963
H7	2.1550	1.0981	2.9935	2.6676	3.3295	1.7963		1.7939
H8	2.1550	1.0981	2.9935	3.3295	2.6676	1.7963	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.372	C1	C2	H7	109.888
C1	C2	H8	109.888	C2	C1	Cl3	112.875
C2	C1	F4	111.042	C2	C1	F5	111.042
Cl3	C1	F4	107.532	Cl3	C1	F5	107.532
F4	C1	F5	106.521	H6	C2	H7	109.569
H6	C2	H8	109.569	H7	C2	H8	109.537

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

using model chemistry: BLYP/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	0.316
2	C	-0.452
3	Cl	0.024
4	F	-0.219
5	F	-0.219
6	H	0.181
7	H	0.185
8	H	0.185

	x	y	z	Total
	-0.706	2.315	0.000	2.420
CHELPG
AIM
ESP

	x	y	z
x	7.371	-0.335	0.000
y	-0.335	5.602	0.000
z	0.000	0.000	5.354

<r²>	134.806
(<r²>)^1/2	11.611

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

using model chemistry: BLYP/6-31+G**

States and conformations

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