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	hartrees
Energy at 0K	-637.361829
Energy at 298.15K	-637.363823
HF Energy	-637.361829
Nuclear repulsion energy	138.940147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3147	7.23
2	A'	3159	3132	7.21
3	A'	1664	1649	21.04
4	A'	1280	1270	0.14
5	A'	1188	1178	0.96
6	A'	1121	1112	174.57
7	A'	844	837	60.23
8	A'	437	433	1.45
9	A'	265	262	5.34
10	A"	890	882	48.31
11	A"	755	749	11.89
12	A"	264	262	1.04

Atom	x (Å)	y (Å)
C1	0.000	0.482
C2	1.031	-0.373
Cl3	-1.646	-0.087
F4	2.303	0.079
H5	0.127	1.569
H6	0.947	-1.466

	C1	C2	Cl3	F4	H5	H6
C1		1.3396	1.7418	2.3380	1.0941	2.1659
C2	1.3396		2.6926	1.3498	2.1421	1.0961
Cl3	1.7418	2.6926		3.9527	2.4259	2.9370
F4	2.3380	1.3498	3.9527		2.6373	2.0557
H5	1.0941	2.1421	2.4259	2.6373		3.1436
H6	2.1659	1.0961	2.9370	2.0557	3.1436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.762	C1	C2	H6	125.261
C2	C1	Cl3	121.263	C2	C1	H5	123.021
Cl3	C1	H5	115.716	F4	C2	H6	113.978

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

using model chemistry: B97D3/cc-pVDZ

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	-0.103
2	C	0.238
3	Cl	-0.059
4	F	-0.155
5	H	0.057
6	H	0.022

	x	y	z	Total
	0.193	-0.137	0.000	0.236
CHELPG
AIM
ESP

	x	y	z
x	7.292	-0.302	0.000
y	-0.302	4.348	0.000
z	0.000	0.000	2.283

<r²>	126.416
(<r²>)^1/2	11.244