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	hartrees
Energy at 0K	-637.328908
Energy at 298.15K	-637.330902
HF Energy	-637.328908
Nuclear repulsion energy	139.128311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3195	8.82
2	A'	3170	3170	8.24
3	A'	1671	1671	20.58
4	A'	1306	1306	0.25
5	A'	1220	1220	3.24
6	A'	1141	1141	160.45
7	A'	847	847	61.56
8	A'	438	438	1.56
9	A'	267	267	5.29
10	A"	895	895	50.91
11	A"	749	749	12.39
12	A"	265	265	1.15

Atom	x (Å)	y (Å)
C1	0.000	0.481
C2	1.031	-0.370
Cl3	-1.645	-0.092
F4	2.300	0.088
H5	0.118	1.561
H6	0.955	-1.457

	C1	C2	Cl3	F4	H5	H6
C1		1.3371	1.7414	2.3333	1.0862	2.1598
C2	1.3371		2.6902	1.3491	2.1359	1.0888
Cl3	1.7414	2.6902		3.9486	2.4160	2.9359
F4	2.3333	1.3491	3.9486		2.6323	2.0481
H5	1.0862	2.1359	2.4160	2.6323		3.1309
H6	2.1598	1.0888	2.9359	2.0481	3.1309

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.601	C1	C2	H6	125.517
C2	C1	Cl3	121.269	C2	C1	H5	123.293
Cl3	C1	H5	115.438	F4	C2	H6	113.882

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

using model chemistry: B97D3/6-31G**

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	-0.269
2	C	0.230
3	Cl	-0.003
4	F	-0.248
5	H	0.165
6	H	0.126

	x	y	z	Total
	0.351	-0.118	0.000	0.370
CHELPG
AIM
ESP

	x	y	z
x	7.246	-0.303	0.000
y	-0.303	4.237	0.000
z	0.000	0.000	2.240

<r²>	126.098
(<r²>)^1/2	11.229