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	hartrees
Energy at 0K	-632.950600
Energy at 298.15K	-632.952693
HF Energy	-632.624714
Nuclear repulsion energy	136.707457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3127	7.05
2	A'	3313	3086	1.03
3	A'	1788	1665	15.64
4	A'	1415	1318	0.36
5	A'	1272	1185	4.82
6	A'	1171	1091	93.07
7	A'	817	761	39.28
8	A'	432	403	2.52
9	A'	271	253	8.55
10	A"	1011	942	63.48
11	A"	894	833	35.67
12	A"	277	258	4.17

Atom	x (Å)	y (Å)
C1	0.000	0.510
C2	1.059	-0.274
Cl3	-1.670	-0.227
F4	2.332	0.246
H5	0.021	1.584
H6	1.024	-1.352

	C1	C2	Cl3	F4	H5	H6
C1		1.3177	1.8254	2.3470	1.0746	2.1243
C2	1.3177		2.7294	1.3751	2.1286	1.0781
Cl3	1.8254	2.7294		4.0299	2.4783	2.9187
F4	2.3470	1.3751	4.0299		2.6705	2.0651
H5	1.0746	2.1286	2.4783	2.6705		3.1023
H6	2.1243	1.0781	2.9187	2.0651	3.1023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.272	C1	C2	H6	124.616
C2	C1	Cl3	119.671	C2	C1	H5	125.377
Cl3	C1	H5	114.952	F4	C2	H6	114.112

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

using model chemistry: CID/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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