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	hartrees
Energy at 0K	-835.077265
Energy at 298.15K	-835.081095
HF Energy	-834.557814
Nuclear repulsion energy	315.163991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3024	3.43
2	A'	1569	1467	17.09
3	A'	1434	1341	21.90
4	A'	1358	1270	171.93
5	A'	1229	1150	220.95
6	A'	861	805	25.97
7	A'	781	731	23.24
8	A'	623	582	41.31
9	A'	512	479	12.61
10	A'	350	327	1.10
11	A'	186	174	2.73
12	A"	3310	3096	0.39
13	A"	1393	1303	129.34
14	A"	1176	1100	109.48
15	A"	965	902	8.25
16	A"	512	479	5.23
17	A"	353	330	1.87
18	A"	100	94	5.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.856	0.512	0.000
C2	0.650	0.444	0.000
Cl3	-1.619	-1.172	0.000
H4	-1.192	1.025	0.894
H5	-1.192	1.025	-0.894
F6	1.153	1.738	0.000
F7	1.153	-0.194	1.115
F8	1.153	-0.194	-1.115

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5070	1.8489	1.0845	1.0845	2.3536	2.4034	2.4034
C2	1.5070		2.7860	2.1281	2.1281	1.3879	1.3797	1.3797
Cl3	1.8489	2.7860		2.4108	2.4108	4.0193	3.1441	3.1441
H4	1.0845	2.1281	2.4108		1.7876	2.6090	2.6527	3.3199
H5	1.0845	2.1281	2.4108	1.7876		2.6090	3.3199	2.6527
F6	2.3536	1.3879	4.0193	2.6090	2.6090		2.2303	2.2303
F7	2.4034	1.3797	3.1441	2.6527	3.3199	2.2303		2.2292
F8	2.4034	1.3797	3.1441	3.3199	2.6527	2.2303	2.2292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.715	C1	C2	F7	112.654
C1	C2	F8	112.654	C2	C1	Cl3	111.832
C2	C1	H4	109.330	C2	C1	H5	109.330
Cl3	C1	H4	107.668	Cl3	C1	H5	107.668
H4	C1	H5	111.007	F6	C2	F7	107.392
F6	C2	F8	107.392	F7	C2	F8	107.777

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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