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	hartrees
Energy at 0K	-637.255485
Energy at 298.15K	-637.257575
HF Energy	-637.009420
Nuclear repulsion energy	140.242277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3119	6.77
2	A'	3242	3111	7.13
3	A'	1703	1634	25.83
4	A'	1333	1279	0.57
5	A'	1247	1196	2.81
6	A'	1152	1106	178.81
7	A'	883	847	52.96
8	A'	452	434	1.59
9	A'	271	260	5.93
10	A"	932	895	57.16
11	A"	819	786	9.32
12	A"	275	263	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.021	-0.363
Cl3	-1.631	-0.097
F4	2.282	0.095
H5	0.121	1.548
H6	0.949	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3231	1.7299	2.3136	1.0770	2.1389
C2	1.3231		2.6659	1.3405	2.1127	1.0785
Cl3	1.7299	2.6659		3.9175	2.4039	2.9077
F4	2.3136	1.3405	3.9175		2.6042	2.0318
H5	1.0770	2.1127	2.4039	2.6042		3.0998
H6	2.1389	1.0785	2.9077	2.0318	3.0998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.585	C1	C2	H6	125.595
C2	C1	Cl3	121.095	C2	C1	H5	123.022
Cl3	C1	H5	115.884	F4	C2	H6	113.820

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.136
2	C	0.098
3	Cl	-0.087
4	F	-0.174
5	H	0.168
6	H	0.131

	x	y	z	Total
	0.080	-0.145	0.000	0.165
CHELPG
AIM
ESP

	x	y	z
x	7.596	-0.302	0.000
y	-0.302	4.759	0.000
z	0.000	0.000	3.205

<r²>	124.853
(<r²>)^1/2	11.174