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	hartrees
Energy at 0K	-637.106088
Energy at 298.15K	-637.108171
HF Energy	-637.106088
Nuclear repulsion energy	140.173035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3120	3.95
2	A'	3262	3114	12.06
3	A'	1734	1656	24.79
4	A'	1323	1263	0.09
5	A'	1250	1193	1.56
6	A'	1162	1110	203.62
7	A'	899	858	59.99
8	A'	455	434	1.55
9	A'	272	260	6.15
10	A"	924	883	71.35
11	A"	817	780	10.04
12	A"	275	262	1.13

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.020	-0.376
Cl3	-1.632	-0.084
F4	2.282	0.085
H5	0.130	1.547
H6	0.956	-1.458

	C1	C2	Cl3	F4	H5	H6
C1		1.3266	1.7240	2.3146	1.0832	2.1537
C2	1.3266		2.6683	1.3433	2.1195	1.0840
Cl3	1.7240	2.6683		3.9176	2.4009	2.9300
F4	2.3146	1.3433	3.9176		2.6020	2.0348
H5	1.0832	2.1195	2.4009	2.6020		3.1168
H6	2.1537	1.0840	2.9300	2.0348	3.1168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.200	C1	C2	H6	126.312
C2	C1	Cl3	121.466	C2	C1	H5	122.849
Cl3	C1	H5	115.685	F4	C2	H6	113.488

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

using model chemistry: HSEh1PBE/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	-0.234
2	C	0.067
3	Cl	0.043
4	F	-0.275
5	H	0.217
6	H	0.182

	x	y	z	Total
	-0.022	-0.198	0.000	0.199
CHELPG
AIM
ESP

	x	y	z
x	7.616	-0.412	0.000
y	-0.412	4.739	0.000
z	0.000	0.000	3.413

<r²>	125.062
(<r²>)^1/2	11.183