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	hartrees
Energy at 0K	-835.766587
Energy at 298.15K	-835.770454
HF Energy	-834.749132
Nuclear repulsion energy	321.289201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3115	2969
2	A'	1463	1394
3	A'	1376	1311
4	A'	1299	1238
5	A'	1197	1141
6	A'	865	825
7	A'	804	767
8	A'	642	612
9	A'	539	513
10	A'	357	340
11	A'	184	176
12	A"	3187	3037
13	A"	1329	1267
14	A"	1132	1079
15	A"	915	872
16	A"	535	510
17	A"	347	331
18	A"	97	93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.863	0.493	0.000
C2	0.658	0.429	0.000
Cl3	-1.595	-1.137	0.000
H4	-1.190	1.034	0.902
H5	-1.190	1.034	-0.902
F6	1.138	1.692	0.000
F7	1.138	-0.195	1.087
F8	1.138	-0.195	-1.087

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5222	1.7861	1.1018	1.1018	2.3329	2.3786	2.3786
C2	1.5222		2.7434	2.1434	2.1434	1.3508	1.3421	1.3421
Cl3	1.7861	2.7434		2.3853	2.3853	3.9330	3.0881	3.0881
H4	1.1018	2.1434	2.3853		1.8042	2.5819	2.6388	3.2993
H5	1.1018	2.1434	2.3853	1.8042		2.5819	3.2993	2.6388
F6	2.3329	1.3508	3.9330	2.5819	2.5819		2.1773	2.1773
F7	2.3786	1.3421	3.0881	2.6388	3.2993	2.1773		2.1738
F8	2.3786	1.3421	3.0881	3.2993	2.6388	2.1773	2.1738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.437	C1	C2	F7	112.132
C1	C2	F8	112.132	C2	C1	Cl3	111.799
C2	C1	H4	108.477	C2	C1	H5	108.477
Cl3	C1	H4	109.071	Cl3	C1	H5	109.071
H4	C1	H5	109.930	F6	C2	F7	107.905
F6	C2	F8	107.905	F7	C2	F8	108.164

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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