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	hartrees
Energy at 0K	-737.920489
Energy at 298.15K	-737.924751
HF Energy	-737.920489
Nuclear repulsion energy	244.665126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	3039	4.70
2	A'	3065	2957	2.69
3	A'	1479	1427	0.29
4	A'	1416	1366	29.46
5	A'	1247	1204	129.48
6	A'	1125	1086	160.39
7	A'	903	871	103.48
8	A'	666	642	66.15
9	A'	544	525	15.59
10	A'	418	404	4.80
11	A'	298	287	0.91
12	A"	3169	3058	2.71
13	A"	1478	1426	1.14
14	A"	1233	1190	157.74
15	A"	988	953	37.24
16	A"	423	409	0.00
17	A"	327	315	0.56
18	A"	236	228	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.366	-0.001	0.000
C2	-0.817	1.440	0.000
Cl3	1.447	-0.132	0.000
F4	-0.817	-0.652	1.080
F5	-0.817	-0.652	-1.080
H6	-1.910	1.456	0.000
H7	-0.444	1.946	0.891
H8	-0.444	1.946	-0.891

	C1	C2	Cl3	F4	F5	H6	H7	H8
C1		1.5100	1.8174	1.3395	1.3395	2.1236	2.1424	2.1424
C2	1.5100		2.7557	2.3545	2.3545	1.0937	1.0903	1.0903
Cl3	1.8174	2.7557		2.5617	2.5617	3.7138	2.9466	2.9466
F4	1.3395	2.3545	2.5617		2.1609	2.6093	2.6312	3.2823
F5	1.3395	2.3545	2.5617	2.1609		2.6093	3.2823	2.6312
H6	2.1236	1.0937	3.7138	2.6093	2.6093		1.7845	1.7845
H7	2.1424	1.0903	2.9466	2.6312	3.2823	1.7845		1.7820
H8	2.1424	1.0903	2.9466	3.2823	2.6312	1.7845	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.236	C1	C2	H7	109.900
C1	C2	H8	109.900	C2	C1	Cl3	111.494
C2	C1	F4	111.296	C2	C1	F5	111.296
Cl3	C1	F4	107.511	Cl3	C1	F5	107.511
F4	C1	F5	107.527	H6	C2	H7	109.591
H6	C2	H8	109.591	H7	C2	H8	109.602

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

using model chemistry: B3LYP/6-31G(2df,p)

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	0.314
2	C	-0.444
3	Cl	-0.189
4	F	-0.076
5	F	-0.076
6	H	0.152
7	H	0.159
8	H	0.159

	x	y	z	Total
	-1.053	1.857	0.000	2.135
CHELPG
AIM
ESP

	x	y	z
x	6.551	-0.412	0.000
y	-0.412	4.890	0.000
z	0.000	0.000	4.612

<r²>	130.559
(<r²>)^1/2	11.426

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

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

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