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	hartrees
Energy at 0K	-735.997077
Energy at 298.15K	-736.001667
HF Energy	-735.997077
Nuclear repulsion energy	248.061061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	2961	9.28
2	A'	3196	2891	5.02
3	A'	1600	1447	0.19
4	A'	1556	1407	32.50
5	A'	1356	1227	147.01
6	A'	1240	1122	193.55
7	A'	994	900	128.50
8	A'	738	667	57.66
9	A'	590	534	19.16
10	A'	470	425	1.05
11	A'	327	296	1.50
12	A"	3292	2978	6.57
13	A"	1600	1447	2.01
14	A"	1349	1220	186.82
15	A"	1085	982	45.36
16	A"	464	420	0.00
17	A"	363	329	0.44
18	A"	266	241	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.350	0.001	0.000
C2	-0.806	1.433	0.000
Cl3	1.425	-0.140	0.000
F4	-0.806	-0.641	1.061
F5	-0.806	-0.641	-1.061
H6	-1.888	1.442	0.000
H7	-0.438	1.933	0.883
H8	-0.438	1.933	-0.883

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5035	1.7808	1.3213	1.3213	2.1076	2.1262	2.1262
C2	1.5035		2.7301	2.3300	2.3300	1.0819	1.0790	1.0790
Cl3	1.7808	2.7301		2.5211	2.5211	3.6712	2.9234	2.9234
F4	1.3213	2.3300	2.5211		2.1225	2.5757	2.6063	3.2465
F5	1.3213	2.3300	2.5211	2.1225		2.5757	3.2465	2.6063
H6	2.1076	1.0819	3.6712	2.5757	2.5757		1.7673	1.7673
H7	2.1262	1.0790	2.9234	2.6063	3.2465	1.7673		1.7652
H8	2.1262	1.0790	2.9234	3.2465	2.6063	1.7673	1.7652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.098	C1	C2	H7	109.739
C1	C2	H8	109.739	C2	C1	Cl3	112.176
C2	C1	F4	110.980	C2	C1	F5	110.980
Cl3	C1	F4	107.804	Cl3	C1	F5	107.804
F4	C1	F5	106.872	H6	C2	H7	109.741
H6	C2	H8	109.741	H7	C2	H8	109.759

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

using model chemistry: HF/daug-cc-pVTZ

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	2.542
2	C	-1.988
3	Cl	-0.636
4	F	-0.762
5	F	-0.762
6	H	0.389
7	H	0.609
8	H	0.609

	x	y	z	Total
	-0.738	2.183	0.000	2.304
CHELPG
AIM
ESP

	x	y	z
x	6.737	-0.373	0.000
y	-0.373	5.547	0.000
z	0.000	0.000	5.253

<r²>	128.131
(<r²>)^1/2	11.319

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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