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	hartrees
Energy at 0K	-635.363305
Energy at 298.15K	-635.365325
HF Energy	-635.363305
Nuclear repulsion energy	140.661509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3115	9.83
2	A'	3141	3082	6.11
3	A'	1714	1682	25.82
4	A'	1284	1260	0.98
5	A'	1210	1187	93.57
6	A'	1194	1172	63.26
7	A'	892	876	48.65
8	A'	452	443	1.60
9	A'	262	257	4.83
10	A"	887	870	53.56
11	A"	768	753	16.67
12	A"	272	267	0.67

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.018	-0.378
Cl3	-1.625	-0.070
F4	2.273	0.055
H5	0.142	1.562
H6	0.919	-1.470

	C1	C2	Cl3	F4	H5	H6
C1		1.3303	1.7149	2.3117	1.0933	2.1540
C2	1.3303		2.6615	1.3271	2.1288	1.0968
Cl3	1.7149	2.6615		3.8999	2.4052	2.9042
F4	2.3117	1.3271	3.8999		2.6097	2.0395
H5	1.0933	2.1288	2.4052	2.6097		3.1303
H6	2.1540	1.0968	2.9042	2.0395	3.1303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.899	C1	C2	H6	124.848
C2	C1	Cl3	121.333	C2	C1	H5	122.591
Cl3	C1	H5	116.076	F4	C2	H6	114.253

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

using model chemistry: LSDA/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	-0.348
2	C	0.131
3	Cl	0.016
4	F	-0.200
5	H	0.222
6	H	0.180

	x	y	z	Total
	0.389	-0.099	0.000	0.401
CHELPG
AIM
ESP

	x	y	z
x	7.090	-0.319	0.000
y	-0.319	4.244	0.000
z	0.000	0.000	2.222

<r²>	123.640
(<r²>)^1/2	11.119