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	hartrees
Energy at 0K	-637.439397
Energy at 298.15K	-637.441362
HF Energy	-637.439397
Nuclear repulsion energy	138.232655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3152	3140	8.53
2	A'	3131	3119	5.88
3	A'	1627	1621	17.95
4	A'	1281	1276	0.61
5	A'	1199	1194	3.37
6	A'	1083	1079	166.47
7	A'	819	816	67.83
8	A'	426	424	1.72
9	A'	263	262	5.56
10	A"	885	881	65.93
11	A"	759	756	11.49
12	A"	259	258	1.05

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.042	-0.355
Cl3	-1.657	-0.121
F4	2.313	0.133
H5	0.094	1.560
H6	0.995	-1.443

	C1	C2	Cl3	F4	H5	H6
C1		1.3343	1.7614	2.3388	1.0862	2.1634
C2	1.3343		2.7091	1.3614	2.1368	1.0890
Cl3	1.7614	2.7091		3.9780	2.4270	2.9634
F4	2.3388	1.3614	3.9780		2.6381	2.0545
H5	1.0862	2.1368	2.4270	2.6381		3.1352
H6	2.1634	1.0890	2.9634	2.0545	3.1352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.362	C1	C2	H6	126.154
C2	C1	Cl3	121.510	C2	C1	H5	123.642
Cl3	C1	H5	114.848	F4	C2	H6	113.484

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

using model chemistry: BLYP/6-311G**

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	-0.250
2	C	0.188
3	Cl	-0.042
4	F	-0.188
5	H	0.170
6	H	0.121

	x	y	z	Total
	0.244	-0.175	0.000	0.300
CHELPG
AIM
ESP

	x	y	z
x	7.753	-0.179	0.000
y	-0.179	4.369	0.000
z	0.000	0.000	2.418

<r²>	128.319
(<r²>)^1/2	11.328