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	hartrees
Energy at 0K	-637.468317
Energy at 298.15K	-637.470296
HF Energy	-637.468317
Nuclear repulsion energy	138.655720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3138	7.64
2	A'	3134	3125	5.57
3	A'	1626	1621	18.74
4	A'	1287	1283	0.76
5	A'	1203	1199	3.11
6	A'	1082	1078	168.22
7	A'	826	824	58.96
8	A'	428	427	1.33
9	A'	262	261	5.40
10	A"	884	882	56.72
11	A"	772	770	6.79
12	A"	260	259	1.06

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.034	-0.360
Cl3	-1.651	-0.110
F4	2.308	0.118
H5	0.105	1.557
H6	0.980	-1.446

	C1	C2	Cl3	F4	H5	H6
C1		1.3313	1.7524	2.3360	1.0845	2.1586
C2	1.3313		2.6967	1.3605	2.1306	1.0865
Cl3	1.7524	2.6967		3.9654	2.4218	2.9502
F4	2.3360	1.3605	3.9654		2.6313	2.0511
H5	1.0845	2.1306	2.4218	2.6313		3.1275
H6	2.1586	1.0865	2.9502	2.0511	3.1275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.409	C1	C2	H6	126.159
C2	C1	Cl3	121.368	C2	C1	H5	123.441
Cl3	C1	H5	115.192	F4	C2	H6	113.432

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

using model chemistry: BLYP/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	-0.100
2	C	0.119
3	Cl	-0.081
4	F	-0.165
5	H	0.132
6	H	0.095

	x	y	z	Total
	0.071	-0.125	0.000	0.143
CHELPG
AIM
ESP

	x	y	z
x	8.103	-0.257	0.000
y	-0.257	4.950	0.000
z	0.000	0.000	3.278

<r²>	127.426
(<r²>)^1/2	11.288