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	hartrees
Energy at 0K	-735.726936
Energy at 298.15K	-735.731401
HF Energy	-735.726936
Nuclear repulsion energy	242.342485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3002	2.33
2	A'	3237	2923	1.62
3	A'	1634	1475	3.44
4	A'	1602	1447	25.11
5	A'	1362	1230	152.96
6	A'	1269	1146	180.30
7	A'	979	884	150.81
8	A'	691	624	83.00
9	A'	544	491	29.05
10	A'	442	399	0.47
11	A'	319	288	1.56
12	A"	3344	3020	2.01
13	A"	1634	1475	5.53
14	A"	1368	1236	170.94
15	A"	1099	992	55.66
16	A"	444	401	0.47
17	A"	348	314	1.38
18	A"	260	235	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.361	0.020	0.000
C2	-0.827	1.439	0.000
Cl3	1.463	-0.139	0.000
F4	-0.827	-0.652	1.100
F5	-0.827	-0.652	-1.100
H6	-1.909	1.442	0.000
H7	-0.469	1.947	0.881
H8	-0.469	1.947	-0.881

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4931	1.8314	1.3708	1.3708	2.1013	2.1216	2.1216
C2	1.4931		2.7810	2.3623	2.3623	1.0813	1.0783	1.0783
Cl3	1.8314	2.7810		2.5922	2.5922	3.7238	2.9766	2.9766
F4	1.3708	2.3623	2.5922		2.2005	2.6008	2.6327	3.2875
F5	1.3708	2.3623	2.5922	2.2005		2.6008	3.2875	2.6327
H6	2.1013	1.0813	3.7238	2.6008	2.6008		1.7616	1.7616
H7	2.1216	1.0783	2.9766	2.6327	3.2875	1.7616		1.7617
H8	2.1216	1.0783	2.9766	3.2875	2.6327	1.7616	1.7617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.362	C1	C2	H7	110.146
C1	C2	H8	110.146	C2	C1	Cl3	113.160
C2	C1	F4	111.080	C2	C1	F5	111.080
Cl3	C1	F4	107.219	Cl3	C1	F5	107.219
F4	C1	F5	106.765	H6	C2	H7	109.312
H6	C2	H8	109.312	H7	C2	H8	109.539

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

using model chemistry: HF/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	0.547
2	C	-0.488
3	Cl	0.069
4	F	-0.387
5	F	-0.387
6	H	0.220
7	H	0.213
8	H	0.213

	x	y	z	Total
	-0.777	2.983	0.000	3.083
CHELPG
AIM
ESP

	x	y	z
x	5.785	-0.343	0.000
y	-0.343	3.442	0.000
z	0.000	0.000	3.495

<r²>	133.490
(<r²>)^1/2	11.554

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

using model chemistry: HF/6-31G

States and conformations

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