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	hartrees
Energy at 0K	-637.469415
Energy at 298.15K	-637.471575
HF Energy	-637.469415
Nuclear repulsion energy	143.569085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3146	7.87
2	A'	3118	3108	4.17
3	A'	1639	1634	55.33
4	A'	1314	1310	19.62
5	A'	1216	1212	27.53
6	A'	1027	1024	94.71
7	A'	768	765	14.88
8	A'	625	624	26.50
9	A'	191	190	1.15
10	A"	840	838	0.16
11	A"	721	718	42.89
12	A"	441	440	6.54

Atom	x (Å)	y (Å)
C1	0.000	0.873
C2	1.258	0.434
Cl3	-1.397	-0.175
F4	1.589	-0.877
H5	-0.219	1.934
H6	2.120	1.097

	C1	C2	Cl3	F4	H5	H6
C1		1.3321	1.7464	2.3642	1.0839	2.1317
C2	1.3321		2.7238	1.3527	2.1050	1.0876
Cl3	1.7464	2.7238		3.0679	2.4163	3.7399
F4	2.3642	1.3527	3.0679		3.3430	2.0444
H5	1.0839	2.1050	2.4163	3.3430		2.4840
H6	2.1317	1.0876	3.7399	2.0444	2.4840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.426	C1	C2	H6	123.208
C2	C1	Cl3	123.892	C2	C1	H5	120.877
Cl3	C1	H5	115.232	F4	C2	H6	113.367

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

using model chemistry: BLYP/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	-0.115
2	C	0.100
3	Cl	-0.066
4	F	-0.151
5	H	0.136
6	H	0.096

	x	y	z	Total
	0.823	1.868	0.000	2.041
CHELPG
AIM
ESP

	x	y	z
x	7.788	0.447	0.000
y	0.447	5.172	0.000
z	0.000	0.000	3.284

<r²>	106.084
(<r²>)^1/2	10.300