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	hartrees
Energy at 0K	-735.582734
Energy at 298.15K	-735.586972
HF Energy	-735.582734
Nuclear repulsion energy	246.925524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3087	3057	0.90
2	A'	2995	2966	0.46
3	A'	1398	1385	0.16
4	A'	1350	1337	90.97
5	A'	1228	1216	90.99
6	A'	1091	1080	205.10
7	A'	895	887	71.63
8	A'	668	662	63.11
9	A'	538	533	12.91
10	A'	424	420	2.68
11	A'	295	292	1.29
12	A"	3105	3075	0.00
13	A"	1395	1382	2.42
14	A"	1185	1173	184.72
15	A"	942	933	31.34
16	A"	420	416	0.08
17	A"	323	320	0.58
18	A"	235	233	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.353	0.002	0.000
C2	-0.807	1.414	0.000
Cl3	1.427	-0.118	0.000
F4	-0.807	-0.653	1.077
F5	-0.807	-0.653	-1.077
H6	-1.906	1.424	0.000
H7	-0.432	1.924	0.895
H8	-0.432	1.924	-0.895

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.4832	1.7839	1.3395	1.3395	2.1054	2.1216	2.1216
C2	1.4832		2.7087	2.3309	2.3309	1.0988	1.0958	1.0958
Cl3	1.7839	2.7087		2.5365	2.5365	3.6720	2.9030	2.9030
F4	1.3395	2.3309	2.5365		2.1533	2.5851	2.6108	3.2664
F5	1.3395	2.3309	2.5365	2.1533		2.5851	3.2664	2.6108
H6	2.1054	1.0988	3.6720	2.5851	2.5851		1.7947	1.7947
H7	2.1216	1.0958	2.9030	2.6108	3.2664	1.7947		1.7893
H8	2.1216	1.0958	2.9030	3.2664	2.6108	1.7947	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.342	C1	C2	H7	109.790
C1	C2	H8	109.790	C2	C1	Cl3	111.675
C2	C1	F4	111.231	C2	C1	F5	111.231
Cl3	C1	F4	107.752	Cl3	C1	F5	107.752
F4	C1	F5	106.984	H6	C2	H7	109.725
H6	C2	H8	109.725	H7	C2	H8	109.453

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

using model chemistry: SVWN/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	0.258
2	C	-0.339
3	Cl	-0.108
4	F	-0.111
5	F	-0.111
6	H	0.135
7	H	0.138
8	H	0.138

	x	y	z	Total
	-0.804	1.978	0.000	2.135
CHELPG
AIM
ESP

	x	y	z
x	6.928	-0.429	0.000
y	-0.429	5.313	0.000
z	0.000	0.000	4.904

<r²>	128.540
(<r²>)^1/2	11.338

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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