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	hartrees
Energy at 0K	-636.425129
Energy at 298.15K	-636.427219
HF Energy	-635.809603
Nuclear repulsion energy	139.221818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3094	3.97
2	A'	3259	3087	7.36
3	A'	1743	1651	24.95
4	A'	1327	1258	0.07
5	A'	1239	1174	3.94
6	A'	1175	1113	167.39
7	A'	896	849	44.76
8	A'	453	430	1.93
9	A'	272	257	6.51
10	A"	935	885	47.88
11	A"	803	761	12.69
12	A"	276	261	1.98

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	1.030	-0.371
Cl3	-1.643	-0.087
F4	2.297	0.077
H5	0.135	1.569
H6	0.940	-1.461

	C1	C2	Cl3	F4	H5	H6
C1		1.3394	1.7396	2.3327	1.0928	2.1616
C2	1.3394		2.6879	1.3439	2.1368	1.0939
Cl3	1.7396	2.6879		3.9431	2.4303	2.9260
F4	2.3327	1.3439	3.9431		2.6264	2.0512
H5	1.0928	2.1368	2.4303	2.6264		3.1358
H6	2.1616	1.0939	2.9260	2.0512	3.1358

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.774	C1	C2	H6	125.034
C2	C1	Cl3	121.067	C2	C1	H5	122.610
Cl3	C1	H5	116.322	F4	C2	H6	114.192

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

using model chemistry: CCSD/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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