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	hartrees
Energy at 0K	-735.781549
Energy at 298.15K	-735.785940
HF Energy	-735.781549
Nuclear repulsion energy	241.252692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3351	3017	8.85
2	A'	3250	2926	5.53
3	A'	1631	1468	5.47
4	A'	1590	1431	25.61
5	A'	1332	1199	142.37
6	A'	1269	1143	163.65
7	A'	956	860	155.19
8	A'	683	615	65.52
9	A'	538	485	27.54
10	A'	435	392	0.47
11	A'	314	283	1.99
12	A"	3367	3032	8.59
13	A"	1631	1469	9.33
14	A"	1319	1188	171.65
15	A"	1056	950	94.12
16	A"	440	397	0.41
17	A"	338	304	1.29
18	A"	248	223	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.019	0.000
C2	-0.831	1.447	0.000
Cl3	1.467	-0.130	0.000
F4	-0.831	-0.664	1.103
F5	-0.831	-0.664	-1.103
H6	-1.912	1.456	0.000
H7	-0.468	1.952	0.881
H8	-0.468	1.952	-0.881

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5047	1.8309	1.3810	1.3810	2.1166	2.1273	2.1273
C2	1.5047		2.7879	2.3818	2.3818	1.0808	1.0787	1.0787
Cl3	1.8309	2.7879		2.6048	2.6048	3.7330	2.9762	2.9762
F4	1.3810	2.3818	2.6048		2.2059	2.6222	2.6501	3.3033
F5	1.3810	2.3818	2.6048	2.2059		2.6222	3.3033	2.6501
H6	2.1166	1.0808	3.7330	2.6222	2.6222		1.7632	1.7632
H7	2.1273	1.0787	2.9762	2.6501	3.3033	1.7632		1.7629
H8	2.1273	1.0787	2.9762	3.3033	2.6501	1.7632	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.791	C1	C2	H7	109.756
C1	C2	H8	109.756	C2	C1	Cl3	113.032
C2	C1	F4	111.175	C2	C1	F5	111.175
Cl3	C1	F4	107.555	Cl3	C1	F5	107.555
F4	C1	F5	106.004	H6	C2	H7	109.465
H6	C2	H8	109.465	H7	C2	H8	109.592

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

using model chemistry: HF/SDD

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	0.443
2	C	-0.505
3	Cl	-0.027
4	F	-0.293
5	F	-0.293
6	H	0.229
7	H	0.224
8	H	0.224

	x	y	z	Total
	-0.613	3.117	0.000	3.176
CHELPG
AIM
ESP

	x	y	z
x	5.624	-0.216	0.000
y	-0.216	3.363	0.000
z	0.000	0.000	3.393

<r²>	134.656
(<r²>)^1/2	11.604

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

using model chemistry: HF/SDD

States and conformations

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