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	hartrees
Energy at 0K	-637.457453
Energy at 298.15K	-637.459417
HF Energy	-637.457453
Nuclear repulsion energy	138.138448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3147	7.18
2	A'	3142	3134	5.49
3	A'	1625	1621	16.63
4	A'	1290	1287	0.85
5	A'	1207	1204	2.71
6	A'	1067	1065	178.48
7	A'	821	819	66.02
8	A'	426	425	1.45
9	A'	264	263	5.99
10	A"	886	884	66.53
11	A"	759	757	6.73
12	A"	257	257	1.07

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.041	-0.352
Cl3	-1.657	-0.127
F4	2.314	0.142
H5	0.093	1.560
H6	1.004	-1.439

	C1	C2	Cl3	F4	H5	H6
C1		1.3320	1.7642	2.3387	1.0858	2.1648
C2	1.3320		2.7077	1.3657	2.1346	1.0875
Cl3	1.7642	2.7077		3.9806	2.4309	2.9676
F4	2.3387	1.3657	3.9806		2.6355	2.0532
H5	1.0858	2.1346	2.4309	2.6355		3.1348
H6	2.1648	1.0875	2.9676	2.0532	3.1348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.207	C1	C2	H6	126.647
C2	C1	Cl3	121.353	C2	C1	H5	123.665
Cl3	C1	H5	114.982	F4	C2	H6	113.146

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

using model chemistry: BLYP/TZVP

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	-0.146
2	C	0.081
3	Cl	-0.056
4	F	-0.181
5	H	0.184
6	H	0.118

	x	y	z	Total
	-0.083	-0.184	0.000	0.202
CHELPG
AIM
ESP

	x	y	z
x	7.910	-0.249	0.000
y	-0.249	4.686	0.000
z	0.000	0.000	3.203

<r²>	128.472
(<r²>)^1/2	11.335