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	hartrees
Energy at 0K	-637.428846
Energy at 298.15K	-637.430894
HF Energy	-637.428846
Nuclear repulsion energy	139.301801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3126	1.64
2	A'	3242	3121	13.80
3	A'	1706	1642	22.18
4	A'	1321	1271	0.23
5	A'	1246	1200	2.98
6	A'	1128	1086	199.13
7	A'	870	838	64.94
8	A'	445	428	1.51
9	A'	271	261	6.36
10	A"	915	881	68.65
11	A"	805	775	8.75
12	A"	269	259	1.31

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.029	-0.366
Cl3	-1.643	-0.104
F4	2.295	0.113
H5	0.113	1.551
H6	0.983	-1.449

	C1	C2	Cl3	F4	H5	H6
C1		1.3285	1.7416	2.3234	1.0827	2.1591
C2	1.3285		2.6850	1.3538	2.1244	1.0835
Cl3	1.7416	2.6850		3.9442	2.4129	2.9499
F4	2.3234	1.3538	3.9442		2.6129	2.0402
H5	1.0827	2.1244	2.4129	2.6129		3.1228
H6	2.1591	1.0835	2.9499	2.0402	3.1228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.040	C1	C2	H6	126.759
C2	C1	Cl3	121.401	C2	C1	H5	123.216
Cl3	C1	H5	115.382	F4	C2	H6	113.201

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

using model chemistry: B3LYPultrafine/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	-0.180
2	C	0.100
3	Cl	0.013
4	F	-0.288
5	H	0.193
6	H	0.162

	x	y	z	Total
	-0.065	-0.201	0.000	0.211
CHELPG
AIM
ESP

	x	y	z
x	7.809	-0.369	0.000
y	-0.369	4.813	0.000
z	0.000	0.000	3.501

<r²>	126.614
(<r²>)^1/2	11.252