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	hartrees
Energy at 0K	-637.353191
Energy at 298.15K	-637.355153
HF Energy	-637.353191
Nuclear repulsion energy	138.215948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3144	8.44
2	A'	3142	3118	6.67
3	A'	1648	1636	18.46
4	A'	1296	1286	0.29
5	A'	1205	1196	3.90
6	A'	1119	1111	150.42
7	A'	830	824	59.01
8	A'	430	426	1.54
9	A'	262	260	5.17
10	A"	891	884	46.41
11	A"	744	738	11.68
12	A"	261	259	1.16

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.042	-0.360
Cl3	-1.656	-0.112
F4	2.313	0.117
H5	0.104	1.566
H6	0.982	-1.450

	C1	C2	Cl3	F4	H5	H6
C1		1.3398	1.7596	2.3418	1.0891	2.1677
C2	1.3398		2.7095	1.3582	2.1426	1.0918
Cl3	1.7596	2.7095		3.9761	2.4321	2.9585
F4	2.3418	1.3582	3.9761		2.6419	2.0567
H5	1.0891	2.1426	2.4321	2.6419		3.1418
H6	2.1677	1.0918	2.9585	2.0567	3.1418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.449	C1	C2	H6	125.821
C2	C1	Cl3	121.312	C2	C1	H5	123.476
Cl3	C1	H5	115.212	F4	C2	H6	113.730

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

using model chemistry: BLYP/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	-0.223
2	C	0.232
3	Cl	-0.014
4	F	-0.236
5	H	0.138
6	H	0.103

	x	y	z	Total
	0.380	-0.095	0.000	0.392
CHELPG
AIM
ESP

	x	y	z
x	7.357	-0.249	0.000
y	-0.249	4.262	0.000
z	0.000	0.000	2.236

<r²>	127.709
(<r²>)^1/2	11.301