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	hartrees
Energy at 0K	-835.605840
Energy at 298.15K	-835.609762
HF Energy	-834.708030
Nuclear repulsion energy	322.530026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	2995	6.70
2	A'	1531	1444	19.62
3	A'	1429	1348	60.42
4	A'	1339	1262	138.16
5	A'	1223	1154	244.57
6	A'	890	839	28.98
7	A'	832	785	16.42
8	A'	646	609	25.92
9	A'	537	507	6.13
10	A'	364	343	0.64
11	A'	191	180	1.61
12	A"	3250	3065	0.04
13	A"	1368	1290	146.19
14	A"	1180	1113	103.97
15	A"	959	904	12.02
16	A"	531	500	1.91
17	A"	357	337	1.31
18	A"	111	104	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.859	0.488	0.000
C2	0.655	0.429	0.000
Cl3	-1.573	-1.131	0.000
H4	-1.184	1.021	0.893
H5	-1.184	1.021	-0.893
F6	1.123	1.696	0.000
F7	1.123	-0.199	1.090
F8	1.123	-0.199	-1.090

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5147	1.7699	1.0901	1.0901	2.3215	2.3643	2.3643
C2	1.5147		2.7198	2.1285	2.1285	1.3511	1.3426	1.3426
Cl3	1.7699	2.7198		2.3629	2.3629	3.9071	3.0539	3.0539
H4	1.0901	2.1285	2.3629		1.7868	2.5650	2.6181	3.2786
H5	1.0901	2.1285	2.3629	1.7868		2.5650	3.2786	2.6181
F6	2.3215	1.3511	3.9071	2.5650	2.5650		2.1866	2.1866
F7	2.3643	1.3426	3.0539	2.6181	3.2786	2.1866		2.1797
F8	2.3643	1.3426	3.0539	3.2786	2.6181	2.1866	2.1797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.071	C1	C2	F7	111.538
C1	C2	F8	111.538	C2	C1	Cl3	111.562
C2	C1	H4	108.501	C2	C1	H5	108.501
Cl3	C1	H4	109.094	Cl3	C1	H5	109.094
H4	C1	H5	110.077	F6	C2	F7	108.537
F6	C2	F8	108.537	F7	C2	F8	108.533

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)