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	hartrees
Energy at 0K	-637.491936
Energy at 298.15K	-637.494212
HF Energy	-637.491936
Nuclear repulsion energy	145.638184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3130	6.85
2	A'	3236	3097	5.59
3	A'	1748	1673	67.05
4	A'	1365	1306	23.91
5	A'	1272	1217	46.25
6	A'	1096	1049	100.07
7	A'	825	789	20.57
8	A'	668	639	24.41
9	A'	194	186	1.36
10	A"	904	865	0.01
11	A"	762	729	52.48
12	A"	464	444	9.16

Atom	x (Å)	y (Å)
C1	0.000	0.862
C2	1.243	0.424
Cl3	-1.376	-0.172
F4	1.561	-0.865
H5	-0.211	1.918
H6	2.100	1.081

	C1	C2	Cl3	F4	H5	H6
C1		1.3179	1.7218	2.3282	1.0770	2.1117
C2	1.3179		2.6865	1.3281	2.0847	1.0801
Cl3	1.7218	2.6865		3.0179	2.3936	3.6957
F4	2.3282	1.3281	3.0179		3.2995	2.0198
H5	1.0770	2.0847	2.3936	3.2995		2.4579
H6	2.1117	1.0801	3.6957	2.0198	2.4579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.255	C1	C2	H6	123.125
C2	C1	Cl3	123.663	C2	C1	H5	120.691
Cl3	C1	H5	115.646	F4	C2	H6	113.620

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: B1B95/TZVP

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	-0.169
2	C	0.095
3	Cl	-0.055
4	F	-0.177
5	H	0.185
6	H	0.121

	x	y	z	Total
	0.876	2.094	0.000	2.270
CHELPG
AIM
ESP

	x	y	z
x	7.112	0.353	0.000
y	0.353	4.644	0.000
z	0.000	0.000	3.072

<r²>	103.367
(<r²>)^1/2	10.167