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	hartrees
Energy at 0K	-637.320455
Energy at 298.15K	-637.322540
HF Energy	-637.320455
Nuclear repulsion energy	140.167271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3104	6.87
2	A'	3252	3096	10.93
3	A'	1752	1668	27.63
4	A'	1324	1261	0.08
5	A'	1248	1188	0.94
6	A'	1182	1125	199.19
7	A'	888	845	58.13
8	A'	455	433	1.78
9	A'	273	260	6.60
10	A"	934	889	68.16
11	A"	832	792	11.42
12	A"	270	257	1.47

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.022	-0.367
Cl3	-1.631	-0.099
F4	2.279	0.105
H5	0.125	1.550
H6	0.963	-1.449

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7292	2.3090	1.0824	2.1513
C2	1.3242		2.6671	1.3427	2.1166	1.0837
Cl3	1.7292	2.6671		3.9159	2.4086	2.9247
F4	2.3090	1.3427	3.9159		2.5942	2.0366
H5	1.0824	2.1166	2.4086	2.5942		3.1139
H6	2.1513	1.0837	2.9247	2.0366	3.1139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.953	C1	C2	H6	126.332
C2	C1	Cl3	121.163	C2	C1	H5	122.857
Cl3	C1	H5	115.980	F4	C2	H6	113.715

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

using model chemistry: M06-2X/6-31+G**

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	-0.225
2	C	0.104
3	Cl	0.009
4	F	-0.287
5	H	0.216
6	H	0.183

	x	y	z	Total
	-0.001	-0.200	0.000	0.200
CHELPG
AIM
ESP

	x	y	z
x	7.509	-0.380	0.000
y	-0.380	4.754	0.000
z	0.000	0.000	3.382

<r²>	125.070
(<r²>)^1/2	11.183