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	hartrees
Energy at 0K	-637.430683
Energy at 298.15K	-637.432950
HF Energy	-637.430683
Nuclear repulsion energy	145.475918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	3150	7.49
2	A'	3241	3115	4.13
3	A'	1768	1699	65.58
4	A'	1349	1297	27.62
5	A'	1259	1210	47.31
6	A'	1095	1053	79.04
7	A'	827	795	20.38
8	A'	669	643	22.31
9	A'	192	184	1.21
10	A"	898	863	0.07
11	A"	759	730	38.80
12	A"	462	444	8.06

Atom	x (Å)	y (Å)
C1	0.000	0.869
C2	1.246	0.416
Cl3	-1.374	-0.167
F4	1.553	-0.876
H5	-0.208	1.935
H6	2.112	1.079

	C1	C2	Cl3	F4	H5	H6
C1		1.3261	1.7212	2.3358	1.0866	2.1221
C2	1.3261		2.6847	1.3276	2.1034	1.0898
Cl3	1.7212	2.6847		3.0118	2.4045	3.7019
F4	2.3358	1.3276	3.0118		3.3173	2.0324
H5	1.0866	2.1034	2.4045	3.3173		2.4731
H6	2.1221	1.0898	3.7019	2.0324	2.4731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.333	C1	C2	H6	122.596
C2	C1	Cl3	123.007	C2	C1	H5	121.015
Cl3	C1	H5	115.978	F4	C2	H6	114.071

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

using model chemistry: B1B95/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	-0.161
2	C	0.250
3	Cl	-0.044
4	F	-0.154
5	H	0.073
6	H	0.038

	x	y	z	Total
	0.957	1.876	0.000	2.106
CHELPG
AIM
ESP

	x	y	z
x	6.813	0.437	0.000
y	0.437	4.353	0.000
z	0.000	0.000	2.269

<r²>	103.105
(<r²>)^1/2	10.154