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	hartrees
Energy at 0K	-636.536751
Energy at 298.15K	-636.538873
HF Energy	-635.795664
Nuclear repulsion energy	141.011315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3103	10.20
2	A'	3287	3089	5.38
3	A'	1727	1623	28.72
4	A'	1352	1270	0.44
5	A'	1246	1171	3.33
6	A'	1201	1129	154.36
7	A'	917	861	40.94
8	A'	463	435	1.81
9	A'	272	256	5.74
10	A"	957	900	40.57
11	A"	822	773	12.75
12	A"	283	266	1.49

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	1.012	-0.371
Cl3	-1.621	-0.072
F4	2.271	0.048
H5	0.139	1.556
H6	0.906	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3262	1.7142	2.3127	1.0783	2.1347
C2	1.3262		2.6492	1.3271	2.1155	1.0805
Cl3	1.7142	2.6492		3.8932	2.3969	2.8761
F4	2.3127	1.3271	3.8932		2.6114	2.0241
H5	1.0783	2.1155	2.3969	2.6114		3.0988
H6	2.1347	1.0805	2.8761	2.0241	3.0988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.294	C1	C2	H6	124.667
C2	C1	Cl3	120.694	C2	C1	H5	122.903
Cl3	C1	H5	116.403	F4	C2	H6	114.038

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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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