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	hartrees
Energy at 0K	-635.875972
Energy at 298.15K	-635.878253
HF Energy	-635.875972
Nuclear repulsion energy	141.749618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3078	0.87
2	A'	3379	3070	15.90
3	A'	1864	1694	43.47
4	A'	1444	1312	0.69
5	A'	1352	1228	3.17
6	A'	1253	1138	233.17
7	A'	948	861	65.08
8	A'	488	443	1.99
9	A'	298	271	6.99
10	A"	1051	955	53.60
11	A"	951	864	19.99
12	A"	303	275	1.84

Atom	x (Å)	y (Å)
C1	0.000	0.472
C2	1.022	-0.339
Cl3	-1.616	-0.121
F4	2.252	0.125
H5	0.103	1.537
H6	0.968	-1.408

	C1	C2	Cl3	F4	H5	H6
C1		1.3051	1.7215	2.2787	1.0695	2.1148
C2	1.3051		2.6473	1.3147	2.0890	1.0704
Cl3	1.7215	2.6473		3.8760	2.3882	2.8866
F4	2.2787	1.3147	3.8760		2.5711	2.0003
H5	1.0695	2.0890	2.3882	2.5711		3.0692
H6	2.1148	1.0704	2.8866	2.0003	3.0692

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.872	C1	C2	H6	125.518
C2	C1	Cl3	121.403	C2	C1	H5	122.908
Cl3	C1	H5	115.689	F4	C2	H6	113.610

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.433
2	C	0.801
3	Cl	-0.213
4	F	-0.460
5	H	0.147
6	H	0.159

	x	y	z	Total
	0.145	-0.180	0.000	0.232
CHELPG
AIM
ESP

	x	y	z
x	7.655	-0.421	0.000
y	-0.421	5.134	0.000
z	0.000	0.000	4.148

<r²>	122.950
(<r²>)^1/2	11.088