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	hartrees
Energy at 0K	-836.156902
Energy at 298.15K	-836.160840
HF Energy	-834.894013
Nuclear repulsion energy	324.024627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2989	7.69
2	A'	1484	1409	21.82
3	A'	1380	1311	96.97
4	A'	1298	1233	103.83
5	A'	1190	1130	248.20
6	A'	883	839	24.11
7	A'	824	783	18.38
8	A'	651	618	24.02
9	A'	546	518	4.75
10	A'	363	345	0.46
11	A'	187	178	1.29
12	A"	3220	3058	0.01
13	A"	1325	1258	157.12
14	A"	1143	1085	99.63
15	A"	926	879	9.28
16	A"	542	514	1.54
17	A"	356	338	1.08
18	A"	105	100	2.73

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.487	0.000
C2	0.648	0.426	0.000
Cl3	-1.575	-1.128	0.000
H4	-1.184	1.017	0.890
H5	-1.184	1.017	-0.890
F6	1.127	1.681	0.000
F7	1.127	-0.193	1.080
F8	1.127	-0.193	-1.080

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5105	1.7656	1.0846	1.0846	2.3189	2.3625	2.3625
C2	1.5105		2.7120	2.1205	2.1205	1.3432	1.3338	1.3338
Cl3	1.7656	2.7120		2.3550	2.3550	3.8970	3.0554	3.0554
H4	1.0846	2.1205	2.3550		1.7791	2.5632	2.6154	3.2685
H5	1.0846	2.1205	2.3550	1.7791		2.5632	3.2685	2.6154
F6	2.3189	1.3432	3.8970	2.5632	2.5632		2.1634	2.1634
F7	2.3625	1.3338	3.0554	2.6154	3.2685	2.1634		2.1599
F8	2.3625	1.3338	3.0554	3.2685	2.6154	2.1634	2.1599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.556	C1	C2	F7	112.166
C1	C2	F8	112.166	C2	C1	Cl3	111.509
C2	C1	H4	108.478	C2	C1	H5	108.478
Cl3	C1	H4	109.083	Cl3	C1	H5	109.083
H4	C1	H5	110.203	F6	C2	F7	107.827
F6	C2	F8	107.827	F7	C2	F8	108.123

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

using model chemistry: MP2/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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All results from a given calculation for CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

using model chemistry: MP2/cc-pVTZ

States and conformations

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