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	hartrees
Energy at 0K	-632.977088
Energy at 298.15K	-632.979122
HF Energy	-632.623463
Nuclear repulsion energy	135.913740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3173	6.91
2	A'	3277	3129	1.35
3	A'	1708	1630	15.47
4	A'	1398	1335	0.82
5	A'	1251	1194	5.60
6	A'	1140	1088	84.99
7	A'	796	760	36.05
8	A'	422	403	2.32
9	A'	264	252	7.33
10	A"	988	943	65.44
11	A"	847	808	32.19
12	A"	269	257	3.00

Atom	x (Å)	y (Å)
C1	0.000	0.519
C2	1.062	-0.278
Cl3	-1.679	-0.222
F4	2.349	0.232
H5	0.023	1.596
H6	1.013	-1.358

	C1	C2	Cl3	F4	H5	H6
C1		1.3282	1.8356	2.3661	1.0774	2.1331
C2	1.3282		2.7424	1.3833	2.1431	1.0810
Cl3	1.8356	2.7424		4.0533	2.4908	2.9226
F4	2.3661	1.3833	4.0533		2.6963	2.0758
H5	1.0774	2.1431	2.4908	2.6963		3.1157
H6	2.1331	1.0810	2.9226	2.0758	3.1157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.508	C1	C2	H6	124.279
C2	C1	Cl3	119.311	C2	C1	H5	125.647
Cl3	C1	H5	115.042	F4	C2	H6	114.212

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: MP2=FULL/3-21G

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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