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	hartrees
Energy at 0K	-836.008848
Energy at 298.15K	-836.012824
HF Energy	-834.835731
Nuclear repulsion energy	323.607162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	2997	9.09
2	A'	1484	1407	22.14
3	A'	1415	1342	68.58
4	A'	1323	1255	153.05
5	A'	1206	1144	271.87
6	A'	893	847	30.99
7	A'	833	790	16.77
8	A'	654	620	25.81
9	A'	548	520	5.97
10	A'	368	349	0.60
11	A'	193	183	1.61
12	A"	3233	3067	0.25
13	A"	1344	1275	149.05
14	A"	1171	1111	130.63
15	A"	939	891	12.49
16	A"	544	516	2.09
17	A"	358	340	0.87
18	A"	108	103	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	-0.856	0.485	0.000
C2	0.653	0.422	0.000
Cl3	-1.587	-1.120	0.000
H4	-1.172	1.022	0.893
H5	-1.172	1.022	-0.893
F6	1.131	1.679	0.000
F7	1.131	-0.198	1.081
F8	1.131	-0.198	-1.081

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5111	1.7638	1.0884	1.0884	2.3184	2.3637	2.3637
C2	1.5111		2.7200	2.1185	2.1185	1.3442	1.3351	1.3351
Cl3	1.7638	2.7200		2.3574	2.3574	3.9015	3.0672	3.0672
H4	1.0884	2.1185	2.3574		1.7858	2.5559	2.6129	3.2695
H5	1.0884	2.1185	2.3574	1.7858		2.5559	3.2695	2.6129
F6	2.3184	1.3442	3.9015	2.5559	2.5559		2.1661	2.1661
F7	2.3637	1.3351	3.0672	2.6129	3.2695	2.1661		2.1628
F8	2.3637	1.3351	3.0672	3.2695	2.6129	2.1661	2.1628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.431	C1	C2	F7	112.142
C1	C2	F8	112.142	C2	C1	Cl3	112.080
C2	C1	H4	108.063	C2	C1	H5	108.063
Cl3	C1	H4	109.183	Cl3	C1	H5	109.183
H4	C1	H5	110.254	F6	C2	F7	107.887
F6	C2	F8	107.887	F7	C2	F8	108.184

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

using model chemistry: MP2=FULL/6-311G**

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=FULL/6-311G**

States and conformations

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