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	hartrees
Energy at 0K	-637.278089
Energy at 298.15K	-637.280187
HF Energy	-637.009493
Nuclear repulsion energy	140.360182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3113	6.35
2	A'	3248	3105	7.57
3	A'	1707	1632	25.76
4	A'	1335	1276	0.61
5	A'	1249	1194	2.72
6	A'	1154	1103	178.91
7	A'	885	846	52.81
8	A'	453	433	1.59
9	A'	272	260	5.91
10	A"	937	895	56.90
11	A"	826	790	9.57
12	A"	276	263	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.021	-0.362
Cl3	-1.630	-0.097
F4	2.280	0.095
H5	0.121	1.546
H6	0.948	-1.437

	C1	C2	Cl3	F4	H5	H6
C1		1.3216	1.7283	2.3118	1.0754	2.1361
C2	1.3216		2.6640	1.3397	2.1095	1.0770
Cl3	1.7283	2.6640		3.9148	2.4012	2.9056
F4	2.3118	1.3397	3.9148		2.6010	2.0298
H5	1.0754	2.1095	2.4012	2.6010		3.0952
H6	2.1361	1.0770	2.9056	2.0298	3.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.603	C1	C2	H6	125.577
C2	C1	Cl3	121.150	C2	C1	H5	122.971
Cl3	C1	H5	115.879	F4	C2	H6	113.819

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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