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	hartrees
Energy at 0K	-637.373370
Energy at 298.15K	-637.375469
HF Energy	-637.373370
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3106	7.97
2	A'	3243	3089	4.55
3	A'	1755	1671	28.84
4	A'	1318	1255	0.07
5	A'	1230	1172	0.43
6	A'	1177	1121	191.09
7	A'	890	848	56.15
8	A'	456	434	1.78
9	A'	273	260	6.12
10	A"	935	891	48.07
11	A"	819	780	19.56
12	A"	278	265	1.63

Atom	x (Å)	y (Å)
C1	0.000	0.480
C2	1.028	-0.359
Cl3	-1.635	-0.101
F4	2.283	0.097
H5	0.120	1.563
H6	0.951	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3271	1.7347	2.3153	1.0899	2.1498
C2	1.3271		2.6756	1.3357	2.1260	1.0916
Cl3	1.7347	2.6756		3.9233	2.4180	2.9161
F4	2.3153	1.3357	3.9233		2.6132	2.0404
H5	1.0899	2.1260	2.4180	2.6132		3.1238
H6	2.1498	1.0916	2.9161	2.0404	3.1238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.804	C1	C2	H6	125.165
C2	C1	Cl3	121.246	C2	C1	H5	122.885
Cl3	C1	H5	115.869	F4	C2	H6	114.031

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

using model chemistry: wB97X-D/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	-0.144
2	C	0.231
3	Cl	-0.061
4	F	-0.168
5	H	0.090
6	H	0.053

	x	y	z	Total
	0.255	-0.161	0.000	0.302
CHELPG
AIM
ESP

	x	y	z
x	6.969	-0.329	0.000
y	-0.329	4.229	0.000
z	0.000	0.000	2.254

<r²>	124.992
(<r²>)^1/2	11.180