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	hartrees
Energy at 0K	-835.633000
Energy at 298.15K	-835.636929
HF Energy	-834.708299
Nuclear repulsion energy	322.880499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	2993	6.72
2	A'	1531	1443	20.17
3	A'	1430	1348	61.72
4	A'	1341	1263	136.90
5	A'	1226	1155	244.24
6	A'	891	840	28.34
7	A'	834	785	16.43
8	A'	647	610	25.88
9	A'	539	508	6.13
10	A'	365	344	0.65
11	A'	191	180	1.61
12	A"	3250	3063	0.03
13	A"	1369	1290	146.74
14	A"	1181	1113	104.00
15	A"	959	903	11.40
16	A"	532	501	1.94
17	A"	358	337	1.30
18	A"	111	105	3.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.861	0.487	0.000
C2	0.646	0.427	0.000
Cl3	-1.576	-1.128	0.000
H4	-1.183	1.023	0.892
H5	-1.183	1.023	-0.892
F6	1.128	1.691	0.000
F7	1.128	-0.198	1.088
F8	1.128	-0.198	-1.088

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5081	1.7658	1.0895	1.0895	2.3244	2.3676	2.3676
C2	1.5081		2.7120	2.1205	2.1205	1.3525	1.3438	1.3438
Cl3	1.7658	2.7120		2.3615	2.3615	3.9055	3.0588	3.0588
H4	1.0895	2.1205	2.3615		1.7839	2.5649	2.6207	3.2786
H5	1.0895	2.1205	2.3615	1.7839		2.5649	3.2786	2.6207
F6	2.3244	1.3525	3.9055	2.5649	2.5649		2.1799	2.1799
F7	2.3676	1.3438	3.0588	2.6207	3.2786	2.1799		2.1756
F8	2.3676	1.3438	3.0588	3.2786	2.6207	2.1799	2.1756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.573	C1	C2	F7	112.108
C1	C2	F8	112.108	C2	C1	Cl3	111.625
C2	C1	H4	108.356	C2	C1	H5	108.356
Cl3	C1	H4	109.294	Cl3	C1	H5	109.294
H4	C1	H5	109.897	F6	C2	F7	107.895
F6	C2	F8	107.895	F7	C2	F8	108.096

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

using model chemistry: MP2=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: MP2=FULL/6-31G*

States and conformations

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