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	hartrees
Energy at 0K	-637.472569
Energy at 298.15K	-637.474854
HF Energy	-637.472569
Nuclear repulsion energy	145.316542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3115	6.75
2	A'	3230	3081	5.66
3	A'	1743	1663	67.01
4	A'	1367	1304	23.47
5	A'	1276	1217	45.19
6	A'	1096	1046	101.89
7	A'	823	785	19.81
8	A'	669	638	24.70
9	A'	199	190	1.33
10	A"	905	863	0.03
11	A"	763	727	53.68
12	A"	465	443	9.21

Atom	x (Å)	y (Å)
C1	0.000	0.861
C2	1.245	0.423
Cl3	-1.382	-0.172
F4	1.570	-0.865
H5	-0.210	1.919
H6	2.101	1.085

	C1	C2	Cl3	F4	H5	H6
C1		1.3200	1.7248	2.3332	1.0788	2.1130
C2	1.3200		2.6937	1.3286	2.0872	1.0820
Cl3	1.7248	2.6937		3.0323	2.3962	3.7027
F4	2.3332	1.3286	3.0323		3.3046	2.0216
H5	1.0788	2.0872	2.3962	3.3046		2.4571
H6	2.1130	1.0820	3.7027	2.0216	2.4571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.500	C1	C2	H6	122.901
C2	C1	Cl3	123.883	C2	C1	H5	120.607
Cl3	C1	H5	115.510	F4	C2	H6	113.599

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

using model chemistry: mPW1PW91/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	-0.166
2	C	0.091
3	Cl	-0.060
4	F	-0.170
5	H	0.185
6	H	0.120

	x	y	z	Total
	0.894	2.078	0.000	2.263
CHELPG
AIM
ESP

	x	y	z
x	7.137	0.348	0.000
y	0.348	4.632	0.000
z	0.000	0.000	3.075

<r²>	103.923
(<r²>)^1/2	10.194