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	hartrees
Energy at 0K	-835.685426
Energy at 298.15K	-835.689338
HF Energy	-834.724396
Nuclear repulsion energy	321.866776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3001	7.12
2	A'	1520	1437	15.74
3	A'	1423	1345	44.88
4	A'	1323	1250	132.59
5	A'	1198	1133	280.19
6	A'	875	827	30.31
7	A'	820	775	16.76
8	A'	640	605	27.65
9	A'	532	503	5.92
10	A'	361	341	0.71
11	A'	189	179	1.61
12	A"	3247	3070	0.05
13	A"	1338	1265	142.29
14	A"	1161	1098	125.79
15	A"	951	899	16.30
16	A"	527	498	2.21
17	A"	357	337	1.21
18	A"	111	105	3.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.869	0.489	0.000
C2	0.643	0.431	0.000
Cl3	-1.579	-1.136	0.000
H4	-1.188	1.022	0.892
H5	-1.188	1.022	-0.892
F6	1.132	1.696	0.000
F7	1.132	-0.195	1.090
F8	1.132	-0.195	-1.090

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5134	1.7732	1.0869	1.0869	2.3375	2.3792	2.3792
C2	1.5134		2.7189	2.1206	2.1206	1.3568	1.3485	1.3485
Cl3	1.7732	2.7189		2.3677	2.3677	3.9209	3.0697	3.0697
H4	1.0869	2.1206	2.3677		1.7840	2.5754	2.6272	3.2848
H5	1.0869	2.1206	2.3677	1.7840		2.5754	3.2848	2.6272
F6	2.3375	1.3568	3.9209	2.5754	2.5754		2.1829	2.1829
F7	2.3792	1.3485	3.0697	2.6272	3.2848	2.1829		2.1792
F8	2.3792	1.3485	3.0697	3.2848	2.6272	2.1829	2.1792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.936	C1	C2	F7	112.352
C1	C2	F8	112.352	C2	C1	Cl3	111.394
C2	C1	H4	108.160	C2	C1	H5	108.160
Cl3	C1	H4	109.401	Cl3	C1	H5	109.401
H4	C1	H5	110.309	F6	C2	F7	107.589
F6	C2	F8	107.589	F7	C2	F8	107.810

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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