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	hartrees
Energy at 0K	-835.659387
Energy at 298.15K	-835.663266
HF Energy	-834.707707
Nuclear repulsion energy	321.760466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3127	3000
2	A'	1513	1452
3	A'	1414	1356
4	A'	1332	1277
5	A'	1222	1172
6	A'	874	839
7	A'	817	784
8	A'	641	615
9	A'	533	511
10	A'	359	345
11	A'	188	181
12	A"	3194	3064
13	A"	1361	1306
14	A"	1167	1120
15	A"	948	910
16	A"	527	506
17	A"	352	338
18	A"	107	102

Atom	x (Å)	y (Å)	z (Å)
C1	-0.864	0.490	0.000
C2	0.650	0.430	0.000
Cl3	-1.583	-1.135	0.000
H4	-1.188	1.027	0.896
H5	-1.188	1.027	-0.896
F6	1.132	1.695	0.000
F7	1.132	-0.196	1.090
F8	1.132	-0.196	-1.090

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5145	1.7776	1.0934	1.0934	2.3318	2.3753	2.3753
C2	1.5145		2.7270	2.1297	2.1297	1.3544	1.3461	1.3461
Cl3	1.7776	2.7270		2.3736	2.3736	3.9228	3.0730	3.0730
H4	1.0934	2.1297	2.3736		1.7912	2.5755	2.6301	3.2895
H5	1.0934	2.1297	2.3736	1.7912		2.5755	3.2895	2.6301
F6	2.3318	1.3544	3.9228	2.5755	2.5755		2.1829	2.1829
F7	2.3753	1.3461	3.0730	2.6301	3.2895	2.1829		2.1790
F8	2.3753	1.3461	3.0730	3.2895	2.6301	2.1829	2.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.608	C1	C2	F7	112.131
C1	C2	F8	112.131	C2	C1	Cl3	111.604
C2	C1	H4	108.411	C2	C1	H5	108.411
Cl3	C1	H4	109.204	Cl3	C1	H5	109.204
H4	C1	H5	109.991	F6	C2	F7	107.867
F6	C2	F8	107.867	F7	C2	F8	108.068

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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