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	hartrees
Energy at 0K	-637.410349
Energy at 298.15K	-637.412620
HF Energy	-637.410349
Nuclear repulsion energy	145.162560

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3137	7.21
2	A'	3239	3104	4.23
3	A'	1761	1688	65.66
4	A'	1352	1295	26.61
5	A'	1262	1209	45.92
6	A'	1096	1050	82.75
7	A'	825	791	19.74
8	A'	670	642	22.92
9	A'	194	186	1.21
10	A"	900	862	0.10
11	A"	760	728	40.47
12	A"	463	444	8.27

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.249	0.416
Cl3	-1.380	-0.167
F4	1.562	-0.876
H5	-0.208	1.935
H6	2.113	1.082

	C1	C2	Cl3	F4	H5	H6
C1		1.3281	1.7243	2.3405	1.0879	2.1235
C2	1.3281		2.6921	1.3286	2.1055	1.0910
Cl3	1.7243	2.6921		3.0254	2.4065	3.7087
F4	2.3405	1.3286	3.0254		3.3219	2.0337
H5	1.0879	2.1055	2.4065	3.3219		2.4728
H6	2.1235	1.0910	3.7087	2.0337	2.4728

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.520	C1	C2	H6	122.449
C2	C1	Cl3	123.236	C2	C1	H5	120.934
Cl3	C1	H5	115.830	F4	C2	H6	114.030

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

using model chemistry: mPW1PW91/cc-pVDZ

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	-0.178
2	C	0.245
3	Cl	-0.046
4	F	-0.155
5	H	0.085
6	H	0.049

	x	y	z	Total
	0.979	1.875	0.000	2.115
CHELPG
AIM
ESP

	x	y	z
x	6.841	0.429	0.000
y	0.429	4.342	0.000
z	0.000	0.000	2.271

<r²>	103.649
(<r²>)^1/2	10.181