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	hartrees
Energy at 0K	-630.066981
Energy at 298.15K	-630.068816
HF Energy	-630.066981
Nuclear repulsion energy	136.369554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3473	20.64
2	A'	3375	3375	9.48
3	A'	1793	1793	11.14
4	A'	1381	1381	0.29
5	A'	1297	1297	31.26
6	A'	1255	1255	28.78
7	A'	919	919	32.66
8	A'	450	450	1.19
9	A'	258	258	3.30
10	A"	981	981	30.01
11	A"	749	749	7.86
12	A"	262	262	0.95

Atom	x (Å)	y (Å)
C1	0.000	0.505
C2	1.060	-0.336
Cl3	-1.678	-0.131
F4	2.350	0.116
H5	0.071	1.602
H6	0.940	-1.440

	C1	C2	Cl3	F4	H5	H6
C1		1.3536	1.7942	2.3820	1.0987	2.1612
C2	1.3536		2.7453	1.3673	2.1763	1.1104
Cl3	1.7942	2.7453		4.0352	2.4614	2.9273
F4	2.3820	1.3673	4.0352		2.7208	2.1002
H5	1.0987	2.1763	2.4614	2.7208		3.1643
H6	2.1612	1.1104	2.9273	2.1002	3.1643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.194	C1	C2	H6	122.280
C2	C1	Cl3	120.767	C2	C1	H5	124.784
Cl3	C1	H5	114.449	F4	C2	H6	115.526

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

using model chemistry: TPSSh/STO-3G

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	-0.079
2	C	0.029
3	Cl	-0.116
4	F	-0.035
5	H	0.107
6	H	0.095

	x	y	z	Total
	1.625	0.159	0.000	1.633
CHELPG
AIM
ESP

	x	y	z
x	4.801	-0.106	0.000
y	-0.106	2.160	0.000
z	0.000	0.000	0.464

<r²>	129.419
(<r²>)^1/2	11.376