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	hartrees
Energy at 0K	-835.621411
Energy at 298.15K	-835.625346
HF Energy	-834.711401
Nuclear repulsion energy	322.623635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2993	7.74
2	A'	1528	1431	19.15
3	A'	1427	1336	59.85
4	A'	1337	1252	138.25
5	A'	1224	1147	245.78
6	A'	891	834	28.36
7	A'	832	780	15.95
8	A'	646	605	25.69
9	A'	537	503	6.08
10	A'	364	341	0.62
11	A'	191	179	1.60
12	A"	3273	3066	0.27
13	A"	1365	1279	146.46
14	A"	1179	1104	102.37
15	A"	956	896	11.90
16	A"	531	497	2.02
17	A"	357	334	1.16
18	A"	110	103	3.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.486	0.000
C2	0.648	0.427	0.000
Cl3	-1.579	-1.127	0.000
H4	-1.180	1.021	0.889
H5	-1.180	1.021	-0.889
F6	1.129	1.692	0.000
F7	1.129	-0.199	1.089
F8	1.129	-0.199	-1.089

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5097	1.7659	1.0858	1.0858	2.3267	2.3697	2.3697
C2	1.5097		2.7155	2.1181	2.1181	1.3536	1.3452	1.3452
Cl3	1.7659	2.7155		2.3589	2.3589	3.9092	3.0632	3.0632
H4	1.0858	2.1181	2.3589		1.7780	2.5640	2.6200	3.2767
H5	1.0858	2.1181	2.3589	1.7780		2.5640	3.2767	2.6200
F6	2.3267	1.3536	3.9092	2.5640	2.5640		2.1822	2.1822
F7	2.3697	1.3452	3.0632	2.6200	3.2767	2.1822		2.1780
F8	2.3697	1.3452	3.0632	3.2767	2.6200	2.1822	2.1780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.574	C1	C2	F7	112.084
C1	C2	F8	112.084	C2	C1	Cl3	111.755
C2	C1	H4	108.280	C2	C1	H5	108.280
Cl3	C1	H4	109.293	Cl3	C1	H5	109.293
H4	C1	H5	109.918	F6	C2	F7	107.915
F6	C2	F8	107.915	F7	C2	F8	108.106

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

using model chemistry: MP2/6-31G**

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

using model chemistry: MP2/6-31G**

States and conformations

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