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	hartrees
Energy at 0K	-637.111690
Energy at 298.15K	-637.113754
HF Energy	-636.914878
Nuclear repulsion energy	139.574483

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3127	0.91
2	A'	3282	3121	14.07
3	A'	1712	1628	21.88
4	A'	1334	1269	0.23
5	A'	1264	1202	4.57
6	A'	1133	1078	191.16
7	A'	888	844	60.41
8	A'	449	427	1.59
9	A'	273	259	6.56
10	A"	922	877	71.10
11	A"	802	763	7.10
12	A"	271	257	1.37

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.022	-0.376
Cl3	-1.639	-0.090
F4	2.293	0.095
H5	0.127	1.546
H6	0.966	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3292	1.7333	2.3237	1.0798	2.1571
C2	1.3292		2.6764	1.3549	2.1202	1.0804
Cl3	1.7333	2.6764		3.9359	2.4077	2.9407
F4	2.3237	1.3549	3.9359		2.6068	2.0400
H5	1.0798	2.1202	2.4077	2.6068		3.1160
H6	2.1571	1.0804	2.9407	2.0400	3.1160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.931	C1	C2	H6	126.756
C2	C1	Cl3	121.268	C2	C1	H5	122.976
Cl3	C1	H5	115.756	F4	C2	H6	113.313

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

using model chemistry: B2PLYP=FULL/6-31+G**

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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