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	hartrees
Energy at 0K	-637.512460
Energy at 298.15K	-637.514525
HF Energy	-637.512460
Nuclear repulsion energy	139.532206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3121	7.25
2	A'	3223	3111	6.17
3	A'	1702	1643	21.81
4	A'	1331	1285	0.59
5	A'	1245	1202	1.86
6	A'	1129	1090	193.84
7	A'	862	833	63.89
8	A'	445	430	1.62
9	A'	273	264	6.51
10	A"	928	895	64.78
11	A"	811	783	10.01
12	A"	270	261	1.40

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.033	-0.349
Cl3	-1.641	-0.123
F4	2.290	0.135
H5	0.098	1.550
H6	0.989	-1.429

	C1	C2	Cl3	F4	H5	H6
C1		1.3208	1.7465	2.3154	1.0795	2.1454
C2	1.3208		2.6832	1.3473	2.1162	1.0811
Cl3	1.7465	2.6832		3.9397	2.4130	2.9366
F4	2.3154	1.3473	3.9397		2.6094	2.0341
H5	1.0795	2.1162	2.4130	2.6094		3.1093
H6	2.1454	1.0811	2.9366	2.0341	3.1093

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.403	C1	C2	H6	126.271
C2	C1	Cl3	121.409	C2	C1	H5	123.368
Cl3	C1	H5	115.223	F4	C2	H6	113.326

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

using model chemistry: B3LYP/TZVP

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	-0.144
2	C	0.089
3	Cl	-0.067
4	F	-0.193
5	H	0.190
6	H	0.125

	x	y	z	Total
	-0.046	-0.192	0.000	0.198
CHELPG
AIM
ESP

	x	y	z
x	7.510	-0.298	0.000
y	-0.298	4.538	0.000
z	0.000	0.000	3.129

<r²>	126.228
(<r²>)^1/2	11.235