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	hartrees
Energy at 0K	-637.306353
Energy at 298.15K	-637.308436
HF Energy	-637.306353
Nuclear repulsion energy	140.315379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3101	10.34
2	A'	3258	3085	4.94
3	A'	1772	1678	29.07
4	A'	1342	1271	0.36
5	A'	1254	1188	0.92
6	A'	1212	1148	172.81
7	A'	891	843	53.64
8	A'	457	433	1.93
9	A'	272	257	6.23
10	A"	951	900	50.79
11	A"	826	782	17.42
12	A"	274	259	1.73

Atom	x (Å)	y (Å)
C1	0.000	0.476
C2	1.025	-0.361
Cl3	-1.631	-0.100
F4	2.277	0.101
H5	0.121	1.552
H6	0.954	-1.444

	C1	C2	Cl3	F4	H5	H6
C1		1.3235	1.7296	2.3081	1.0822	2.1438
C2	1.3235		2.6683	1.3352	2.1156	1.0846
Cl3	1.7296	2.6683		3.9133	2.4077	2.9130
F4	2.3081	1.3352	3.9133		2.5989	2.0339
H5	1.0822	2.1156	2.4077	2.5989		3.1089
H6	2.1438	1.0846	2.9130	2.0339	3.1089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.490	C1	C2	H6	125.517
C2	C1	Cl3	121.277	C2	C1	H5	122.835
Cl3	C1	H5	115.888	F4	C2	H6	113.992

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

using model chemistry: M06-2X/6-31G*

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	-0.344
2	C	0.200
3	Cl	0.000
4	F	-0.275
5	H	0.229
6	H	0.189

	x	y	z	Total
	0.312	-0.157	0.000	0.350
CHELPG
AIM
ESP

	x	y	z
x	6.877	-0.312	0.000
y	-0.312	4.155	0.000
z	0.000	0.000	2.206

<r²>	124.451
(<r²>)^1/2	11.156