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	hartrees
Energy at 0K	-634.175371
Energy at 298.15K	-634.177292
HF Energy	-634.175371
Nuclear repulsion energy	135.482308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3200	6.88
2	A'	3148	3130	3.62
3	A'	1649	1640	14.29
4	A'	1331	1324	1.74
5	A'	1191	1184	4.21
6	A'	1098	1092	90.47
7	A'	759	755	49.89
8	A'	404	402	2.37
9	A'	252	250	5.58
10	A"	929	923	60.45
11	A"	780	776	35.32
12	A"	256	254	1.32

Atom	x (Å)	y (Å)
C1	0.000	0.528
C2	1.066	-0.271
Cl3	-1.682	-0.230
F4	2.355	0.235
H5	0.002	1.611
H6	1.008	-1.359

	C1	C2	Cl3	F4	H5	H6
C1		1.3325	1.8451	2.3727	1.0837	2.1395
C2	1.3325		2.7491	1.3840	2.1627	1.0897
Cl3	1.8451	2.7491		4.0636	2.4954	2.9180
F4	2.3727	1.3840	4.0636		2.7257	2.0868
H5	1.0837	2.1627	2.4954	2.7257		3.1365
H6	2.1395	1.0897	2.9180	2.0868	3.1365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.706	C1	C2	H6	123.777
C2	C1	Cl3	118.920	C2	C1	H5	126.738
Cl3	C1	H5	114.341	F4	C2	H6	114.518

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

using model chemistry: BLYP/3-21G

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	-0.422
2	C	0.135
3	Cl	0.051
4	F	-0.221
5	H	0.245
6	H	0.211

	x	y	z	Total
	0.725	0.067	0.000	0.728
CHELPG
AIM
ESP

	x	y	z
x	7.115	0.157	0.000
y	0.157	3.675	0.000
z	0.000	0.000	1.382

<r²>	132.532
(<r²>)^1/2	11.512