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	hartrees
Energy at 0K	-637.393869
Energy at 298.15K	-637.395964
HF Energy	-637.393869
Nuclear repulsion energy	140.521130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3137	8.85
2	A'	3264	3117	6.10
3	A'	1760	1681	26.99
4	A'	1342	1282	0.09
5	A'	1258	1201	2.04
6	A'	1203	1149	173.92
7	A'	902	861	55.12
8	A'	457	437	1.76
9	A'	271	259	5.79
10	A"	943	900	51.24
11	A"	811	775	16.59
12	A"	279	266	1.51

Atom	x (Å)	y (Å)
C1	0.000	0.474
C2	1.022	-0.368
Cl3	-1.629	-0.088
F4	2.277	0.083
H5	0.124	1.548
H6	0.946	-1.448

	C1	C2	Cl3	F4	H5	H6
C1		1.3239	1.7231	2.3099	1.0809	2.1425
C2	1.3239		2.6651	1.3334	2.1157	1.0830
Cl3	1.7231	2.6651		3.9091	2.3975	2.9120
F4	2.3099	1.3334	3.9091		2.6039	2.0284
H5	1.0809	2.1157	2.3975	2.6039		3.1069
H6	2.1425	1.0830	2.9120	2.0284	3.1069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.748	C1	C2	H6	125.492
C2	C1	Cl3	121.465	C2	C1	H5	122.913
Cl3	C1	H5	115.622	F4	C2	H6	113.759

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

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

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	-0.346
2	C	0.198
3	Cl	0.005
4	F	-0.264
5	H	0.225
6	H	0.183

	x	y	z	Total
	0.313	-0.150	0.000	0.347
CHELPG
AIM
ESP

	x	y	z
x	6.895	-0.336	0.000
y	-0.336	4.115	0.000
z	0.000	0.000	2.196

<r²>	124.048
(<r²>)^1/2	11.138