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	hartrees
Energy at 0K	-51.578019
Energy at 298.15K	-51.580226
HF Energy	-51.578019
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3277	19.62
2	A'	3243	3243	3.55
3	A'	1759	1759	72.76
4	A'	1342	1342	34.53
5	A'	1256	1256	42.93
6	A'	1093	1093	99.52
7	A'	823	823	25.55
8	A'	655	655	20.55
9	A'	193	193	1.46
10	A"	872	872	0.78
11	A"	746	746	69.99
12	A"	443	443	10.01

Atom	x (Å)	y (Å)
C1	0.000	0.884
C2	1.271	0.412
Cl3	-1.392	-0.160
F4	1.565	-0.896
H5	-0.203	1.953
H6	2.150	1.061

	C1	C2	Cl3	F4	H5	H6
C1		1.3559	1.7396	2.3705	1.0884	2.1570
C2	1.3559		2.7234	1.3407	2.1329	1.0925
Cl3	1.7396	2.7234		3.0472	2.4245	3.7459
F4	2.3705	1.3407	3.0472		3.3536	2.0426
H5	1.0884	2.1329	2.4245	3.3536		2.5163
H6	2.1570	1.0925	3.7459	2.0426	2.5163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.057	C1	C2	H6	123.160
C2	C1	Cl3	122.746	C2	C1	H5	121.133
Cl3	C1	H5	116.121	F4	C2	H6	113.783

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

using model chemistry: wB97X-D/CEP-31G*

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	-0.205
2	C	-0.052
3	Cl	-0.099
4	F	-0.127
5	H	0.273
6	H	0.211

	x	y	z	Total
	1.108	2.220	0.000	2.481
CHELPG
AIM
ESP

	x	y	z
x	7.018	0.335	0.000
y	0.335	4.259	0.000
z	0.000	0.000	2.339

<r²>	73.642
(<r²>)^1/2	8.581