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	hartrees
Energy at 0K	-637.125265
Energy at 298.15K	-637.127355
HF Energy	-637.125265
Nuclear repulsion energy	140.140084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3131	7.69
2	A'	3242	3118	5.77
3	A'	1745	1678	26.69
4	A'	1307	1257	0.14
5	A'	1215	1168	1.98
6	A'	1178	1134	186.05
7	A'	894	860	54.42
8	A'	456	438	1.66
9	A'	269	259	5.78
10	A"	932	897	50.26
11	A"	813	782	16.80
12	A"	278	268	1.34

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.024	-0.369
Cl3	-1.632	-0.086
F4	2.282	0.078
H5	0.129	1.560
H6	0.938	-1.457

	C1	C2	Cl3	F4	H5	H6
C1		1.3284	1.7268	2.3168	1.0902	2.1504
C2	1.3284		2.6710	1.3354	2.1263	1.0919
Cl3	1.7268	2.6710		3.9178	2.4110	2.9132
F4	2.3168	1.3354	3.9178		2.6135	2.0408
H5	1.0902	2.1263	2.4110	2.6135		3.1240
H6	2.1504	1.0919	2.9132	2.0408	3.1240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.851	C1	C2	H6	125.077
C2	C1	Cl3	121.365	C2	C1	H5	122.770
Cl3	C1	H5	115.865	F4	C2	H6	114.072

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.147
2	C	0.232
3	Cl	-0.057
4	F	-0.164
5	H	0.086
6	H	0.049

	x	y	z	Total
	0.201	-0.158	0.000	0.255
CHELPG
AIM
ESP

	x	y	z
x	7.005	-0.335	0.000
y	-0.335	4.254	0.000
z	0.000	0.000	2.267

<r²>	124.666
(<r²>)^1/2	11.165