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	hartrees
Energy at 0K	-635.446990
Energy at 298.15K	-635.449014
HF Energy	-635.446990
Nuclear repulsion energy	140.814380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3145	3094	9.57
2	A'	3121	3070	6.47
3	A'	1696	1669	25.68
4	A'	1271	1250	0.08
5	A'	1198	1179	7.11
6	A'	1170	1151	173.34
7	A'	884	870	55.89
8	A'	451	443	1.86
9	A'	264	260	5.12
10	A"	875	861	74.13
11	A"	772	759	15.73
12	A"	269	265	0.50

Atom	x (Å)	y (Å)
C1	0.000	0.471
C2	1.019	-0.374
Cl3	-1.625	-0.075
F4	2.271	0.067
H5	0.136	1.554
H6	0.933	-1.465

	C1	C2	Cl3	F4	H5	H6
C1		1.3233	1.7141	2.3068	1.0919	2.1496
C2	1.3233		2.6602	1.3278	2.1207	1.0950
Cl3	1.7141	2.6602		3.8985	2.3989	2.9114
F4	2.3068	1.3278	3.8985		2.6024	2.0344
H5	1.0919	2.1207	2.3989	2.6024		3.1234
H6	2.1496	1.0950	2.9114	2.0344	3.1234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.941	C1	C2	H6	125.196
C2	C1	Cl3	121.753	C2	C1	H5	122.532
Cl3	C1	H5	115.715	F4	C2	H6	113.863

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

using model chemistry: LSDA/6-311G*

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	-0.434
2	C	0.054
3	Cl	0.003
4	F	-0.159
5	H	0.294
6	H	0.242

	x	y	z	Total
	0.239	-0.191	0.000	0.306
CHELPG
AIM
ESP

	x	y	z
x	7.464	-0.261	0.000
y	-0.261	4.328	0.000
z	0.000	0.000	2.392

<r²>	124.052
(<r²>)^1/2	11.138