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	hartrees
Energy at 0K	-637.393521
Energy at 298.15K	-637.395618
HF Energy	-637.393521
Nuclear repulsion energy	140.788936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3085	5.47
2	A'	3216	3078	9.89
3	A'	1708	1635	28.00
4	A'	1323	1266	0.56
5	A'	1240	1187	0.86
6	A'	1156	1107	197.14
7	A'	894	856	54.37
8	A'	456	436	1.52
9	A'	272	261	5.44
10	A"	927	888	57.28
11	A"	831	795	8.39
12	A"	275	264	0.98

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.015	-0.373
Cl3	-1.625	-0.080
F4	2.274	0.074
H5	0.131	1.545
H6	0.939	-1.452

	C1	C2	Cl3	F4	H5	H6
C1		1.3211	1.7162	2.3082	1.0805	2.1414
C2	1.3211		2.6563	1.3353	2.1117	1.0818
Cl3	1.7162	2.6563		3.9015	2.3925	2.9082
F4	2.3082	1.3353	3.9015		2.5987	2.0271
H5	1.0805	2.1117	2.3925	2.5987		3.1039
H6	2.1414	1.0818	2.9082	2.0271	3.1039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.669	C1	C2	H6	125.754
C2	C1	Cl3	121.448	C2	C1	H5	122.804
Cl3	C1	H5	115.747	F4	C2	H6	113.577

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

using model chemistry: B3PW91/6-311+G(3df,2p)

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	-0.364
2	C	0.582
3	Cl	-0.152
4	F	-0.353
5	H	0.139
6	H	0.149

	x	y	z	Total
	0.016	-0.145	0.000	0.146
CHELPG
AIM
ESP

	x	y	z
x	8.240	-0.366	0.000
y	-0.366	5.393	0.000
z	0.000	0.000	4.307

<r²>	123.999
(<r²>)^1/2	11.135