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	hartrees
Energy at 0K	-738.054791
Energy at 298.15K	-738.059073
HF Energy	-738.054791
Nuclear repulsion energy	244.483367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3032	4.71
2	A'	3060	2958	2.32
3	A'	1483	1433	0.55
4	A'	1421	1373	32.23
5	A'	1226	1185	131.63
6	A'	1129	1091	162.55
7	A'	895	865	121.29
8	A'	667	644	61.98
9	A'	540	522	14.23
10	A'	419	405	3.86
11	A'	300	290	1.26
12	A"	3155	3050	2.74
13	A"	1480	1431	2.94
14	A"	1200	1160	153.54
15	A"	971	939	63.90
16	A"	429	415	0.06
17	A"	329	318	0.46
18	A"	239	231	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.357	0.005	0.000
C2	-0.818	1.437	0.000
Cl3	1.446	-0.130	0.000
F4	-0.818	-0.654	1.085
F5	-0.818	-0.654	-1.085
H6	-1.907	1.445	0.000
H7	-0.449	1.943	0.888
H8	-0.449	1.943	-0.888

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5038	1.8082	1.3501	1.3501	2.1155	2.1335	2.1335
C2	1.5038		2.7532	2.3553	2.3553	1.0897	1.0867	1.0867
Cl3	1.8082	2.7532		2.5640	2.5640	3.7048	2.9456	2.9456
F4	1.3501	2.3553	2.5640		2.1691	2.6016	2.6304	3.2819
F5	1.3501	2.3553	2.5640	2.1691		2.6016	3.2819	2.6304
H6	2.1155	1.0897	3.7048	2.6016	2.6016		1.7790	1.7790
H7	2.1335	1.0867	2.9456	2.6304	3.2819	1.7790		1.7759
H8	2.1335	1.0867	2.9456	3.2819	2.6304	1.7790	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.255	C1	C2	H7	109.839
C1	C2	H8	109.839	C2	C1	Cl3	112.138
C2	C1	F4	111.119	C2	C1	F5	111.119
Cl3	C1	F4	107.666	Cl3	C1	F5	107.666
F4	C1	F5	106.896	H6	C2	H7	109.649
H6	C2	H8	109.649	H7	C2	H8	109.592

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

using model chemistry: B3LYP/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	0.413
2	C	-0.279
3	Cl	-0.147
4	F	-0.168
5	F	-0.168
6	H	0.115
7	H	0.117
8	H	0.117

	x	y	z	Total
	-0.781	2.057	0.000	2.200
CHELPG
AIM
ESP

	x	y	z
x	6.804	-0.424	0.000
y	-0.424	5.155	0.000
z	0.000	0.000	4.790

<r²>	130.956
(<r²>)^1/2	11.444

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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