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	hartrees
Energy at 0K	-637.369623
Energy at 298.15K	-637.371706
HF Energy	-637.369623
Nuclear repulsion energy	140.174629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3118	8.45
2	A'	3222	3103	6.35
3	A'	1716	1653	25.15
4	A'	1318	1269	0.20
5	A'	1237	1191	1.06
6	A'	1159	1116	190.13
7	A'	883	850	63.91
8	A'	452	435	1.85
9	A'	271	261	5.79
10	A"	928	894	67.32
11	A"	812	782	15.71
12	A"	274	264	1.23

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.026	-0.364
Cl3	-1.633	-0.097
F4	2.282	0.099
H5	0.115	1.547
H6	0.960	-1.445

	C1	C2	Cl3	F4	H5	H6
C1		1.3235	1.7296	2.3123	1.0812	2.1438
C2	1.3235		2.6731	1.3381	2.1170	1.0834
Cl3	1.7296	2.6731		3.9203	2.3996	2.9228
F4	2.3123	1.3381	3.9203		2.6066	2.0326
H5	1.0812	2.1170	2.3996	2.6066		3.1091
H6	2.1438	1.0834	2.9228	2.0326	3.1091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.627	C1	C2	H6	125.632
C2	C1	Cl3	121.649	C2	C1	H5	123.064
Cl3	C1	H5	115.288	F4	C2	H6	113.741

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

using model chemistry: B3PW91/6-311G**

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	-0.292
2	C	0.198
3	Cl	-0.036
4	F	-0.202
5	H	0.193
6	H	0.139

	x	y	z	Total
	0.209	-0.214	0.000	0.299
CHELPG
AIM
ESP

	x	y	z
x	7.304	-0.278	0.000
y	-0.278	4.214	0.000
z	0.000	0.000	2.388

<r²>	125.057
(<r²>)^1/2	11.183