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	hartrees
Energy at 0K	-637.529807
Energy at 298.15K	-637.532058
HF Energy	-637.529807
Nuclear repulsion energy	144.943941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3129	5.88
2	A'	3203	3099	6.00
3	A'	1706	1651	63.21
4	A'	1354	1310	22.31
5	A'	1254	1213	34.81
6	A'	1069	1034	98.18
7	A'	801	775	16.98
8	A'	653	631	25.77
9	A'	196	190	1.35
10	A"	897	868	0.32
11	A"	752	728	45.02
12	A"	457	443	6.74

Atom	x (Å)	y (Å)
C1	0.000	0.865
C2	1.248	0.429
Cl3	-1.384	-0.174
F4	1.571	-0.869
H5	-0.212	1.921
H6	2.105	1.087

	C1	C2	Cl3	F4	H5	H6
C1		1.3216	1.7298	2.3396	1.0774	2.1166
C2	1.3216		2.6996	1.3377	2.0874	1.0805
Cl3	1.7298	2.6996		3.0356	2.3997	3.7093
F4	2.3396	1.3377	3.0356		3.3112	2.0274
H5	1.0774	2.0874	2.3997	3.3112		2.4627
H6	2.1166	1.0805	3.7093	2.0274	2.4627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.228	C1	C2	H6	123.255
C2	C1	Cl3	123.883	C2	C1	H5	120.604
Cl3	C1	H5	115.513	F4	C2	H6	113.517

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

using model chemistry: B3LYPultrafine/aug-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	-0.295
2	C	-0.100
3	Cl	-0.102
4	F	-0.330
5	H	0.357
6	H	0.470

	x	y	z	Total
	0.810	1.979	0.000	2.138
CHELPG
AIM
ESP

	x	y	z
x	8.293	0.324	0.000
y	0.324	5.798	0.000
z	0.000	0.000	4.526

<r²>	104.495
(<r²>)^1/2	10.222