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	hartrees
Energy at 0K	-637.365205
Energy at 298.15K	-637.367184
HF Energy	-637.365205
Nuclear repulsion energy	138.831844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3138	8.89
2	A'	3129	3112	5.99
3	A'	1637	1628	22.50
4	A'	1297	1290	0.76
5	A'	1191	1185	2.30
6	A'	1124	1118	151.45
7	A'	832	827	52.97
8	A'	432	430	1.37
9	A'	260	259	5.04
10	A"	901	896	38.55
11	A"	761	757	9.13
12	A"	262	261	1.08

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	1.038	-0.357
Cl3	-1.649	-0.107
F4	2.304	0.102
H5	0.101	1.569
H6	0.968	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3369	1.7521	2.3354	1.0877	2.1602
C2	1.3369		2.6985	1.3461	2.1416	1.0911
Cl3	1.7521	2.6985		3.9580	2.4225	2.9390
F4	2.3354	1.3461	3.9580		2.6466	2.0444
H5	1.0877	2.1416	2.4225	2.6466		3.1365
H6	2.1602	1.0911	2.9390	2.0444	3.1365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.013	C1	C2	H6	125.362
C2	C1	Cl3	121.168	C2	C1	H5	123.749
Cl3	C1	H5	115.083	F4	C2	H6	113.625

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.119
2	C	0.040
3	Cl	-0.126
4	F	-0.042
5	H	0.132
6	H	0.114

	x	y	z	Total
	0.396	-0.054	0.000	0.400
CHELPG
AIM
ESP

	x	y	z
x	7.728	-0.283	0.000
y	-0.283	4.703	0.000
z	0.000	0.000	2.970

<r²>	126.727
(<r²>)^1/2	11.257