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	hartrees
Energy at 0K	-835.648956
Energy at 298.15K	-835.652898
HF Energy	-834.711675
Nuclear repulsion energy	322.984581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	2989	7.73
2	A'	1529	1429	19.55
3	A'	1428	1335	61.21
4	A'	1338	1251	136.99
5	A'	1226	1146	245.53
6	A'	892	834	27.71
7	A'	834	779	15.93
8	A'	647	605	25.64
9	A'	539	503	6.09
10	A'	365	341	0.63
11	A'	191	178	1.59
12	A"	3277	3062	0.24
13	A"	1367	1277	146.82
14	A"	1180	1102	102.65
15	A"	956	893	11.32
16	A"	532	497	2.05
17	A"	358	334	1.14
18	A"	110	103	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.860	0.486	0.000
C2	0.647	0.426	0.000
Cl3	-1.577	-1.126	0.000
H4	-1.179	1.020	0.888
H5	-1.179	1.020	-0.888
F6	1.128	1.690	0.000
F7	1.128	-0.199	1.088
F8	1.128	-0.199	-1.088

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5079	1.7642	1.0847	1.0847	2.3240	2.3667	2.3667
C2	1.5079		2.7125	2.1158	2.1158	1.3521	1.3437	1.3437
Cl3	1.7642	2.7125		2.3567	2.3567	3.9050	3.0594	3.0594
H4	1.0847	2.1158	2.3567		1.7761	2.5612	2.6169	3.2730
H5	1.0847	2.1158	2.3567	1.7761		2.5612	3.2730	2.6169
F6	2.3240	1.3521	3.9050	2.5612	2.5612		2.1799	2.1799
F7	2.3667	1.3437	3.0594	2.6169	3.2730	2.1799		2.1757
F8	2.3667	1.3437	3.0594	3.2730	2.6169	2.1799	2.1757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.580	C1	C2	F7	112.067
C1	C2	F8	112.067	C2	C1	Cl3	111.753
C2	C1	H4	108.281	C2	C1	H5	108.281
Cl3	C1	H4	109.300	Cl3	C1	H5	109.300
H4	C1	H5	109.906	F6	C2	F7	107.927
F6	C2	F8	107.927	F7	C2	F8	108.113

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)