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	hartrees
Energy at 0K	-637.270914
Energy at 298.15K	-637.272847
HF Energy	-637.270914
Nuclear repulsion energy	135.964179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3244	3244	6.79
2	A'	3213	3213	4.01
3	A'	1667	1667	11.11
4	A'	1310	1310	0.87
5	A'	1223	1223	4.74
6	A'	1066	1066	112.89
7	A'	789	789	59.80
8	A'	412	412	1.94
9	A'	258	258	7.66
10	A"	911	911	79.98
11	A"	780	780	16.39
12	A"	255	255	2.77

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	1.059	-0.319
Cl3	-1.681	-0.188
F4	2.347	0.220
H5	0.040	1.576
H6	1.050	-1.405

	C1	C2	Cl3	F4	H5	H6
C1		1.3354	1.8135	2.3629	1.0832	2.1693
C2	1.3354		2.7432	1.3959	2.1521	1.0854
Cl3	1.8135	2.7432		4.0482	2.4640	2.9895
F4	2.3629	1.3959	4.0482		2.6761	2.0788
H5	1.0832	2.1521	2.4640	2.6761		3.1472
H6	2.1693	1.0854	2.9895	2.0788	3.1472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.780	C1	C2	H6	126.998
C2	C1	Cl3	120.433	C2	C1	H5	125.383
Cl3	C1	H5	114.184	F4	C2	H6	113.222

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	-0.369
2	C	0.210
3	Cl	0.057
4	F	-0.291
5	H	0.212
6	H	0.182

	x	y	z	Total
	0.163	-0.126	0.000	0.205
CHELPG
AIM
ESP

	x	y	z
x	7.374	0.020	0.000
y	0.020	3.834	0.000
z	0.000	0.000	1.685

<r²>	131.787
(<r²>)^1/2	11.480