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	hartrees
Energy at 0K	-636.680448
Energy at 298.15K	-636.682739
HF Energy	-635.888309
Nuclear repulsion energy	145.544994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3276	3136	5.13
2	A'	3246	3107	6.78
3	A'	1756	1680	59.14
4	A'	1381	1321	24.85
5	A'	1276	1221	36.88
6	A'	1100	1053	78.04
7	A'	829	794	15.80
8	A'	671	642	20.95
9	A'	199	190	1.58
10	A"	905	867	0.47
11	A"	769	736	41.00
12	A"	459	440	6.77

Atom	x (Å)	y (Å)
C1	0.000	0.866
C2	1.247	0.423
Cl3	-1.375	-0.170
F4	1.554	-0.871
H5	-0.202	1.924
H6	2.106	1.077

	C1	C2	Cl3	F4	H5	H6
C1		1.3234	1.7219	2.3312	1.0766	2.1164
C2	1.3234		2.6882	1.3304	2.0862	1.0792
Cl3	1.7219	2.6882		3.0118	2.4000	3.6974
F4	2.3312	1.3304	3.0118		3.3011	2.0245
H5	1.0766	2.0862	2.4000	3.3011		2.4587
H6	2.1164	1.0792	3.6974	2.0245	2.4587

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.912	C1	C2	H6	123.172
C2	C1	Cl3	123.421	C2	C1	H5	120.394
Cl3	C1	H5	116.185	F4	C2	H6	113.915

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

using model chemistry: CCD/aug-cc-pVTZ

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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