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	hartrees
Energy at 0K	-98.444630
Energy at 298.15K	-98.448718
HF Energy	-98.444630
Nuclear repulsion energy	148.652950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3333	2993	21.86
2	A'	1613	1449	29.85
3	A'	1518	1363	68.49
4	A'	1415	1271	166.50
5	A'	1310	1176	326.84
6	A'	935	840	28.74
7	A'	867	779	37.68
8	A'	689	619	38.59
9	A'	578	519	10.14
10	A'	382	343	0.43
11	A'	198	178	2.25
12	A"	3411	3063	6.46
13	A"	1451	1303	235.32
14	A"	1244	1117	104.28
15	A"	999	897	9.43
16	A"	577	518	3.84
17	A"	372	334	0.85
18	A"	104	93	4.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.865	0.494	0.000
C2	0.663	0.425	0.000
Cl3	-1.601	-1.128	0.000
H4	-1.186	1.021	0.890
H5	-1.186	1.021	-0.890
F6	1.141	1.667	0.000
F7	1.141	-0.188	1.071
F8	1.141	-0.188	-1.071

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5294	1.7810	1.0829	1.0829	2.3238	2.3735	2.3735
C2	1.5294		2.7452	2.1365	2.1365	1.3313	1.3229	1.3229
Cl3	1.7810	2.7452		2.3629	2.3629	3.9155	3.0898	3.0898
H4	1.0829	2.1365	2.3629		1.7793	2.5731	2.6280	3.2737
H5	1.0829	2.1365	2.3629	1.7793		2.5731	3.2737	2.6280
F6	2.3238	1.3313	3.9155	2.5731	2.5731		2.1421	2.1421
F7	2.3735	1.3229	3.0898	2.6280	3.2737	2.1421		2.1416
F8	2.3735	1.3229	3.0898	3.2737	2.6280	2.1421	2.1416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.443	C1	C2	F7	112.435
C1	C2	F8	112.435	C2	C1	Cl3	111.823
C2	C1	H4	108.533	C2	C1	H5	108.533
Cl3	C1	H4	108.735	Cl3	C1	H5	108.735
H4	C1	H5	110.486	F6	C2	F7	107.616
F6	C2	F8	107.616	F7	C2	F8	108.080

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: HF/CEP-31G*

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	-0.117
2	C	0.467
3	Cl	-0.141
4	H	0.175
5	H	0.175
6	F	-0.195
7	F	-0.182
8	F	-0.182

	x	y	z	Total
	-1.400	1.646	0.000	2.161
CHELPG
AIM
ESP

	x	y	z
x	4.307	0.906	0.000
y	0.906	5.382	0.000
z	0.000	0.000	3.591

<r²>	128.036
(<r²>)^1/2	11.315

All results from a given calculation for CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)