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	hartrees
Energy at 0K	-637.426964
Energy at 298.15K	-637.429232
HF Energy	-637.426964
Nuclear repulsion energy	144.971412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3139	5.91
2	A'	3246	3111	7.10
3	A'	1743	1671	64.66
4	A'	1345	1289	23.08
5	A'	1251	1199	40.65
6	A'	1080	1035	89.71
7	A'	822	788	20.31
8	A'	666	639	22.02
9	A'	195	187	1.36
10	A"	893	856	0.53
11	A"	758	726	46.86
12	A"	461	442	6.71

Atom	x (Å)	y (Å)
C1	0.000	0.864
C2	1.251	0.419
Cl3	-1.382	-0.165
F4	1.564	-0.879
H5	-0.207	1.931
H6	2.117	1.079

	C1	C2	Cl3	F4	H5	H6
C1		1.3280	1.7232	2.3428	1.0859	2.1275
C2	1.3280		2.6973	1.3360	2.0998	1.0881
Cl3	1.7232	2.6973		3.0321	2.4023	3.7132
F4	2.3428	1.3360	3.0321		3.3216	2.0346
H5	1.0859	2.0998	2.4023	3.3216		2.4746
H6	2.1275	1.0881	3.7132	2.0346	2.4746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.146	C1	C2	H6	123.112
C2	C1	Cl3	123.747	C2	C1	H5	120.563
Cl3	C1	H5	115.690	F4	C2	H6	113.742

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

using model chemistry: mPW1PW91/aug-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	-0.107
2	C	1.297
3	Cl	-0.169
4	F	-0.414
5	H	-0.364
6	H	-0.242

	x	y	z	Total
	0.851	1.993	0.000	2.167
CHELPG
AIM
ESP

	x	y	z
x	8.078	0.301	0.000
y	0.301	5.618	0.000
z	0.000	0.000	4.339

<r²>	104.264
(<r²>)^1/2	10.211