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	hartrees
Energy at 0K	-637.448861
Energy at 298.15K	-637.450972
HF Energy	-637.448861
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	3108	8.53
2	A'	3234	3092	5.91
3	A'	1740	1663	30.18
4	A'	1336	1277	0.42
5	A'	1258	1203	2.08
6	A'	1173	1121	193.81
7	A'	893	853	54.28
8	A'	458	438	1.65
9	A'	275	263	5.88
10	A"	927	886	54.38
11	A"	827	791	14.77
12	A"	277	265	1.34

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.022	-0.356
Cl3	-1.627	-0.103
F4	2.273	0.102
H5	0.115	1.548
H6	0.951	-1.434

	C1	C2	Cl3	F4	H5	H6
C1		1.3178	1.7272	2.3040	1.0786	2.1340
C2	1.3178		2.6613	1.3324	2.1092	1.0812
Cl3	1.7272	2.6613		3.9060	2.4007	2.9013
F4	2.3040	1.3324	3.9060		2.5982	2.0275
H5	1.0786	2.1092	2.4007	2.5982		3.0978
H6	2.1340	1.0812	2.9013	2.0275	3.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.766	C1	C2	H6	125.349
C2	C1	Cl3	121.268	C2	C1	H5	123.014
Cl3	C1	H5	115.718	F4	C2	H6	113.886

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.140
2	C	0.119
3	Cl	-0.078
4	F	-0.165
5	H	0.151
6	H	0.112

	x	y	z	Total
	0.183	-0.136	0.000	0.227
CHELPG
AIM
ESP

	x	y	z
x	7.597	-0.318	0.000
y	-0.318	4.770	0.000
z	0.000	0.000	3.223

<r²>	124.096
(<r²>)^1/2	11.140