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	hartrees
Energy at 0K	-637.524554
Energy at 298.15K	-637.526631
HF Energy	-637.524554
Nuclear repulsion energy	140.015036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3116	7.57
2	A'	3213	3106	6.40
3	A'	1701	1645	24.40
4	A'	1326	1282	0.51
5	A'	1240	1199	2.22
6	A'	1141	1103	183.94
7	A'	869	840	57.26
8	A'	448	433	1.52
9	A'	272	263	5.85
10	A"	925	895	56.77
11	A"	822	795	9.85
12	A"	272	263	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.026	-0.357
Cl3	-1.635	-0.107
F4	2.285	0.111
H5	0.110	1.547
H6	0.965	-1.435

	C1	C2	Cl3	F4	H5	H6
C1		1.3205	1.7353	2.3136	1.0784	2.1398
C2	1.3205		2.6726	1.3428	2.1128	1.0802
Cl3	1.7353	2.6726		3.9258	2.4048	2.9196
F4	2.3136	1.3428	3.9258		2.6062	2.0326
H5	1.0784	2.1128	2.4048	2.6062		3.1026
H6	2.1398	1.0802	2.9196	2.0326	3.1026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.608	C1	C2	H6	125.789
C2	C1	Cl3	121.394	C2	C1	H5	123.149
Cl3	C1	H5	115.457	F4	C2	H6	113.603

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

using model chemistry: B3LYPultrafine/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	-0.118
2	C	0.118
3	Cl	-0.087
4	F	-0.176
5	H	0.150
6	H	0.112

	x	y	z	Total
	0.083	-0.139	0.000	0.162
CHELPG
AIM
ESP

	x	y	z
x	7.742	-0.297	0.000
y	-0.297	4.809	0.000
z	0.000	0.000	3.231

<r²>	125.260
(<r²>)^1/2	11.192