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	hartrees
Energy at 0K	-629.991878
Energy at 298.15K	-629.993726
HF Energy	-629.991878
Nuclear repulsion energy	136.306034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3098	21.94
2	A'	3375	3012	10.95
3	A'	1797	1603	11.66
4	A'	1380	1232	0.33
5	A'	1295	1156	28.72
6	A'	1253	1118	30.70
7	A'	918	820	31.42
8	A'	450	402	1.21
9	A'	260	232	3.54
10	A"	985	879	29.82
11	A"	774	691	8.39
12	A"	262	234	1.22

Atom	x (Å)	y (Å)
C1	0.000	0.504
C2	1.063	-0.332
Cl3	-1.679	-0.138
F4	2.350	0.128
H5	0.069	1.600
H6	0.948	-1.436

	C1	C2	Cl3	F4	H5	H6
C1		1.3520	1.7977	2.3799	1.0980	2.1588
C2	1.3520		2.7486	1.3671	2.1721	1.1097
Cl3	1.7977	2.7486		4.0380	2.4653	2.9300
F4	2.3799	1.3671	4.0380		2.7142	2.1003
H5	1.0980	2.1721	2.4653	2.7142		3.1600
H6	2.1588	1.1097	2.9300	2.1003	3.1600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.146	C1	C2	H6	122.256
C2	C1	Cl3	120.884	C2	C1	H5	124.566
Cl3	C1	H5	114.549	F4	C2	H6	115.598

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

using model chemistry: B3LYP/STO-3G

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	-0.083
2	C	0.029
3	Cl	-0.115
4	F	-0.043
5	H	0.112
6	H	0.100

	x	y	z	Total
	1.553	0.151	0.000	1.561
CHELPG
AIM
ESP

	x	y	z
x	4.813	-0.107	0.000
y	-0.107	2.158	0.000
z	0.000	0.000	0.465

<r²>	129.599
(<r²>)^1/2	11.384