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	hartrees
Energy at 0K	-636.594506
Energy at 298.15K	-636.596768
HF Energy	-635.869577
Nuclear repulsion energy	144.933741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3117	6.96
2	A'	3260	3089	4.54
3	A'	1749	1657	56.69
4	A'	1394	1321	24.27
5	A'	1291	1224	33.43
6	A'	1100	1042	94.33
7	A'	828	784	16.05
8	A'	665	631	21.48
9	A'	202	191	1.64
10	A"	861	816	0.14
11	A"	759	719	44.76
12	A"	446	423	8.76

Atom	x (Å)	y (Å)
C1	0.000	0.869
C2	1.250	0.432
Cl3	-1.382	-0.178
F4	1.567	-0.865
H5	-0.211	1.925
H6	2.109	1.086

	C1	C2	Cl3	F4	H5	H6
C1		1.3238	1.7338	2.3369	1.0771	2.1202
C2	1.3238		2.7018	1.3357	2.0887	1.0797
Cl3	1.7338	2.7018		3.0279	2.4068	3.7130
F4	2.3369	1.3357	3.0279		3.3085	2.0254
H5	1.0771	2.0887	2.4068	3.3085		2.4673
H6	2.1202	1.0797	3.7130	2.0254	2.4673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.968	C1	C2	H6	123.481
C2	C1	Cl3	123.617	C2	C1	H5	120.563
Cl3	C1	H5	115.820	F4	C2	H6	113.551

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

using model chemistry: CCSD=FULL/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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