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	hartrees
Energy at 0K	-637.473153
Energy at 298.15K	-637.475123
HF Energy	-637.473153
Nuclear repulsion energy	138.588089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3136	6.13
2	A'	3139	3128	7.22
3	A'	1620	1614	19.49
4	A'	1283	1278	0.75
5	A'	1202	1198	3.05
6	A'	1066	1062	184.69
7	A'	824	821	61.75
8	A'	427	425	1.20
9	A'	262	261	5.34
10	A"	880	877	58.61
11	A"	772	770	5.29
12	A"	258	257	0.97

Atom	x (Å)	y (Å)
C1	0.000	0.477
C2	1.033	-0.362
Cl3	-1.651	-0.111
F4	2.309	0.121
H5	0.105	1.556
H6	0.986	-1.447

	C1	C2	Cl3	F4	H5	H6
C1		1.3309	1.7526	2.3360	1.0845	2.1624
C2	1.3309		2.6956	1.3647	2.1315	1.0859
Cl3	1.7526	2.6956		3.9667	2.4212	2.9567
F4	2.3360	1.3647	3.9667		2.6301	2.0518
H5	1.0845	2.1315	2.4212	2.6301		3.1305
H6	2.1624	1.0859	2.9567	2.0518	3.1305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.130	C1	C2	H6	126.654
C2	C1	Cl3	121.299	C2	C1	H5	123.564
Cl3	C1	H5	115.136	F4	C2	H6	113.216

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

using model chemistry: BLYP/aug-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	-0.252
2	C	-0.057
3	Cl	-0.133
4	F	-0.376
5	H	0.362
6	H	0.456

	x	y	z	Total
	-0.031	-0.131	0.000	0.135
CHELPG
AIM
ESP

	x	y	z
x	8.944	-0.287	-0.000
y	-0.287	5.808	0.000
z	-0.000	0.000	4.628

<r²>	127.755
(<r²>)^1/2	11.303