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	hartrees
Energy at 0K	-637.202650
Energy at 298.15K	-637.204724
HF Energy	-636.972740
Nuclear repulsion energy	139.863397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3260	7.30
2	A'	3250	3250	7.43
3	A'	1713	1713	25.19
4	A'	1337	1337	0.33
5	A'	1262	1262	3.63
6	A'	1153	1153	178.23
7	A'	884	884	61.55
8	A'	452	452	1.98
9	A'	274	274	6.15
10	A"	930	930	68.71
11	A"	798	798	13.48
12	A"	273	273	1.32

Atom	x (Å)	y (Å)
C1	0.000	0.475
C2	1.028	-0.362
Cl3	-1.637	-0.099
F4	2.288	0.100
H5	0.116	1.549
H6	0.965	-1.442

	C1	C2	Cl3	F4	H5	H6
C1		1.3258	1.7351	2.3182	1.0797	2.1461
C2	1.3258		2.6783	1.3417	2.1173	1.0816
Cl3	1.7351	2.6783		3.9300	2.4059	2.9283
F4	2.3182	1.3417	3.9300		2.6105	2.0314
H5	1.0797	2.1173	2.4059	2.6105		3.1086
H6	2.1461	1.0816	2.9283	2.0314	3.1086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.693	C1	C2	H6	125.815
C2	C1	Cl3	121.517	C2	C1	H5	122.995
Cl3	C1	H5	115.488	F4	C2	H6	113.493

All results from a given calculation for CHFCHCl ((E)-1-chloro-2-fluoroethene)

using model chemistry: B2PLYP=FULL/6-311G*

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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