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	hartrees
Energy at 0K	-637.408893
Energy at 298.15K	-637.410975
HF Energy	-637.408893
Nuclear repulsion energy	140.376823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3133	4.81
2	A'	3268	3127	11.23
3	A'	1741	1666	25.10
4	A'	1323	1266	0.05
5	A'	1249	1195	1.54
6	A'	1166	1116	205.10
7	A'	900	861	59.89
8	A'	454	435	1.61
9	A'	270	258	6.29
10	A"	926	886	68.64
11	A"	819	783	9.86
12	A"	275	263	1.26

Atom	x (Å)	y (Å)
C1	0.000	0.471
C2	1.018	-0.375
Cl3	-1.630	-0.085
F4	2.279	0.086
H5	0.130	1.544
H6	0.955	-1.455

	C1	C2	Cl3	F4	H5	H6
C1		1.3242	1.7219	2.3110	1.0808	2.1500
C2	1.3242		2.6639	1.3419	2.1152	1.0817
Cl3	1.7219	2.6639		3.9120	2.3976	2.9255
F4	2.3110	1.3419	3.9120		2.5971	2.0313
H5	1.0808	2.1152	2.3976	2.5971		3.1107
H6	2.1500	1.0817	2.9255	2.0313	3.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.175	C1	C2	H6	126.373
C2	C1	Cl3	121.431	C2	C1	H5	122.842
Cl3	C1	H5	115.727	F4	C2	H6	113.451

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

using model chemistry: B1B95/6-31+G**

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	-0.221
2	C	0.088
3	Cl	0.029
4	F	-0.281
5	H	0.210
6	H	0.175

	x	y	z	Total
	-0.042	-0.199	0.000	0.203
CHELPG
AIM
ESP

	x	y	z
x	7.566	-0.400	0.000
y	-0.400	4.716	0.000
z	0.000	0.000	3.377

<r²>	124.699
(<r²>)^1/2	11.167