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	hartrees
Energy at 0K	-824.845598
Energy at 298.15K	-824.848898
HF Energy	-824.680433
Nuclear repulsion energy	311.234909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3408	2971	0.80
2	A'	1642	1432	2.95
3	A'	1453	1267	10.44
4	A'	1370	1194	64.87
5	A'	1252	1092	109.79
6	A'	932	813	12.84
7	A'	837	730	5.98
8	A'	595	519	23.45
9	A'	493	430	7.96
10	A'	335	292	0.15
11	A'	159	139	1.58
12	A"	3534	3082	0.51
13	A"	1457	1270	84.57
14	A"	1222	1066	8.07
15	A"	956	834	0.64
16	A"	486	423	4.10
17	A"	325	283	0.73
18	A"	51	44	3.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.925	0.498	0.000
C2	0.679	0.462	0.000
Cl3	-1.611	-1.196	0.000
H4	-1.287	1.024	0.907
H5	-1.287	1.024	-0.907
F6	1.164	1.767	0.000
F7	1.164	-0.188	1.128
F8	1.164	-0.188	-1.128

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.6048	1.8275	1.1085	1.1085	2.4445	2.4717	2.4717
C2	1.6048		2.8266	2.2364	2.2364	1.3924	1.3888	1.3888
Cl3	1.8275	2.8266		2.4195	2.4195	4.0592	3.1604	3.1604
H4	1.1085	2.2364	2.4195		1.8136	2.7168	2.7429	3.4078
H5	1.1085	2.2364	2.4195	1.8136		2.7168	3.4078	2.7429
F6	2.4445	1.3924	4.0592	2.7168	2.7168		2.2566	2.2566
F7	2.4717	1.3888	3.1604	2.7429	3.4078	2.2566		2.2551
F8	2.4717	1.3888	3.1604	3.4078	2.7429	2.2566	2.2551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.086	C1	C2	F7	111.104
C1	C2	F8	111.104	C2	C1	Cl3	110.715
C2	C1	H4	109.668	C2	C1	H5	109.668
Cl3	C1	H4	108.494	Cl3	C1	H5	108.494
H4	C1	H5	109.776	F6	C2	F7	108.457
F6	C2	F8	108.457	F7	C2	F8	108.558

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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