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	hartrees
Energy at 0K	-835.647093
Energy at 298.15K	-835.651056
HF Energy	-834.709243
Nuclear repulsion energy	323.346125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2984	6.54
2	A'	1533	1438	23.88
3	A'	1443	1354	72.95
4	A'	1362	1278	138.64
5	A'	1256	1179	235.01
6	A'	899	844	23.24
7	A'	839	787	18.29
8	A'	656	615	28.49
9	A'	546	513	7.12
10	A'	368	345	0.65
11	A'	192	180	1.66
12	A"	3247	3046	0.18
13	A"	1393	1307	169.26
14	A"	1191	1118	83.93
15	A"	963	904	7.85
16	A"	541	507	2.46
17	A"	361	339	1.29
18	A"	110	103	3.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.858	0.488	0.000
C2	0.654	0.430	0.000
Cl3	-1.574	-1.133	0.000
H4	-1.183	1.022	0.893
H5	-1.183	1.022	-0.893
F6	1.124	1.689	0.000
F7	1.124	-0.195	1.084
F8	1.124	-0.195	-1.084

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5133	1.7718	1.0897	1.0897	2.3181	2.3603	2.3603
C2	1.5133		2.7214	2.1260	2.1260	1.3444	1.3364	1.3364
Cl3	1.7718	2.7214		2.3650	2.3650	3.9045	3.0555	3.0555
H4	1.0897	2.1260	2.3650		1.7859	2.5621	2.6149	3.2724
H5	1.0897	2.1260	2.3650	1.7859		2.5621	3.2724	2.6149
F6	2.3181	1.3444	3.9045	2.5621	2.5621		2.1734	2.1734
F7	2.3603	1.3364	3.0555	2.6149	3.2724	2.1734		2.1675
F8	2.3603	1.3364	3.0555	3.2724	2.6149	2.1734	2.1675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.283	C1	C2	F7	111.697
C1	C2	F8	111.697	C2	C1	Cl3	111.630
C2	C1	H4	108.429	C2	C1	H5	108.429
Cl3	C1	H4	109.142	Cl3	C1	H5	109.142
H4	C1	H5	110.058	F6	C2	F7	108.338
F6	C2	F8	108.338	F7	C2	F8	108.380

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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