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	hartrees
Energy at 0K	-734.220676
Energy at 298.15K	-734.224947
HF Energy	-734.220676
Nuclear repulsion energy	242.581981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3041	1.23
2	A'	3126	2963	0.46
3	A'	1547	1466	2.66
4	A'	1492	1414	37.98
5	A'	1258	1193	151.04
6	A'	1176	1115	146.52
7	A'	910	862	119.95
8	A'	649	615	76.70
9	A'	518	491	18.49
10	A'	413	391	2.77
11	A'	310	294	0.56
12	A"	3231	3062	0.36
13	A"	1552	1471	5.06
14	A"	1291	1224	144.09
15	A"	1035	981	29.18
16	A"	408	387	0.34
17	A"	319	303	1.15
18	A"	260	247	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.360	-0.021	0.000
C2	-0.816	1.420	0.000
Cl3	1.444	-0.098	0.000
F4	-0.816	-0.668	1.119
F5	-0.816	-0.668	-1.119
H6	-1.909	1.430	0.000
H7	-0.449	1.928	0.891
H8	-0.449	1.928	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5112	1.8062	1.3705	1.3705	2.1226	2.1448	2.1448
C2	1.5112		2.7225	2.3683	2.3683	1.0928	1.0896	1.0896
Cl3	1.8062	2.7225		2.5860	2.5860	3.6850	2.9122	2.9122
F4	1.3705	2.3683	2.5860		2.2383	2.6170	2.6310	3.3034
F5	1.3705	2.3683	2.5860	2.2383		2.6170	3.3034	2.6310
H6	2.1226	1.0928	3.6850	2.6170	2.6170		1.7812	1.7812
H7	2.1448	1.0896	2.9122	2.6310	3.3034	1.7812		1.7826
H8	2.1448	1.0896	2.9122	3.3034	2.6310	1.7812	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.129	C1	C2	H7	110.051
C1	C2	H8	110.051	C2	C1	Cl3	109.987
C2	C1	F4	110.447	C2	C1	F5	110.447
Cl3	C1	F4	108.206	Cl3	C1	F5	108.206
F4	C1	F5	109.489	H6	C2	H7	109.406
H6	C2	H8	109.406	H7	C2	H8	109.770

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

using model chemistry: wB97X-D/3-21G*

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	0.467
2	C	-0.680
3	Cl	-0.014
4	F	-0.278
5	F	-0.278
6	H	0.264
7	H	0.260
8	H	0.260

	x	y	z	Total
	-0.913	2.213	0.000	2.394
CHELPG
AIM
ESP

	x	y	z
x	5.601	-0.301	0.000
y	-0.301	3.661	0.000
z	0.000	0.000	3.655

<r²>	132.061
(<r²>)^1/2	11.492

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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