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	hartrees
Energy at 0K	-637.313024
Energy at 298.15K	-637.315035
HF Energy	-637.313024
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3325	6.74
2	A'	3305	3305	6.81
3	A'	1730	1730	15.69
4	A'	1325	1325	1.27
5	A'	1255	1255	1.79
6	A'	1084	1084	139.79
7	A'	843	843	53.17
8	A'	429	429	1.96
9	A'	262	262	9.27
10	A"	954	954	109.15
11	A"	834	834	10.57
12	A"	263	263	3.63

Atom	x (Å)	y (Å)
C1	0.000	0.487
C2	1.049	-0.335
Cl3	-1.671	-0.164
F4	2.334	0.191
H5	0.067	1.565
H6	1.030	-1.417

	C1	C2	Cl3	F4	H5	H6
C1		1.3322	1.7928	2.3532	1.0800	2.1653
C2	1.3322		2.7246	1.3890	2.1383	1.0829
Cl3	1.7928	2.7246		4.0206	2.4509	2.9777
F4	2.3532	1.3890	4.0206		2.6514	2.0704
H5	1.0800	2.1383	2.4509	2.6514		3.1341
H6	2.1653	1.0829	2.9777	2.0704	3.1341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.696	C1	C2	H6	127.112
C2	C1	Cl3	120.639	C2	C1	H5	124.524
Cl3	C1	H5	114.837	F4	C2	H6	113.192

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

using model chemistry: wB97X-D/SDD

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	-0.353
2	C	0.092
3	Cl	-0.036
4	F	-0.235
5	H	0.290
6	H	0.242

	x	y	z	Total
	-0.125	-0.256	0.000	0.285
CHELPG
AIM
ESP

	x	y	z
x	6.867	-0.173	0.000
y	-0.173	3.551	0.000
z	0.000	0.000	1.752

<r²>	130.641
(<r²>)^1/2	11.430