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	hartrees
Energy at 0K	-1097.984601
Energy at 298.15K	-1097.988629
HF Energy	-1097.668132
Nuclear repulsion energy	298.196627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3053	2.15
2	A'	3080	2955	2.03
3	A'	1493	1432	3.87
4	A'	1424	1366	15.98
5	A'	1190	1141	96.58
6	A'	1136	1090	67.31
7	A'	943	905	77.94
8	A'	588	564	24.52
9	A'	433	415	2.68
10	A'	377	362	1.55
11	A'	257	246	0.16
12	A"	3163	3035	4.13
13	A"	1492	1432	1.02
14	A"	1113	1068	95.90
15	A"	738	708	175.23
16	A"	396	380	1.44
17	A"	294	282	0.83
18	A"	269	258	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.022	0.339	0.000
C2	-1.170	1.267	0.000
F3	1.166	1.058	0.000
Cl4	0.022	-0.695	1.459
Cl5	0.022	-0.695	-1.459
H6	-2.093	0.698	0.000
H7	-1.124	1.891	0.889
H8	-1.124	1.891	-0.889

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5097	1.3513	1.7889	1.7889	2.1451	2.1234	2.1234
C2	1.5097		2.3450	2.7201	2.7201	1.0849	1.0872	1.0872
F3	1.3513	2.3450		2.5522	2.5522	3.2792	2.5935	2.5935
Cl4	1.7889	2.7201	2.5522		2.9185	2.9229	2.8853	3.6762
Cl5	1.7889	2.7201	2.5522	2.9185		2.9229	3.6762	2.8853
H6	2.1451	1.0849	3.2792	2.9229	2.9229		1.7760	1.7760
H7	2.1234	1.0872	2.5935	2.8853	3.6762	1.7760		1.7781
H8	2.1234	1.0872	2.5935	3.6762	2.8853	1.7760	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.466	C1	C2	H7	108.609
C1	C2	H8	108.609	C2	C1	F3	109.973
C2	C1	Cl4	110.814	C2	C1	Cl5	110.814
F3	C1	Cl4	107.916	F3	C1	Cl5	107.916
Cl4	C1	Cl5	109.317	H6	C2	H7	109.705
H6	C2	H8	109.705	H7	C2	H8	109.723

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

using model chemistry: B2PLYP/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	0.325
2	C	-0.256
3	F	-0.192
4	Cl	-0.120
5	Cl	-0.120
6	H	0.121
7	H	0.121
8	H	0.121

	x	y	z
x	5.872	-0.392	0.000
y	-0.392	7.093	0.000
z	0.000	0.000	8.453

<r²>	172.535
(<r²>)^1/2	13.135

All results from a given calculation for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)