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	hartrees
Energy at 0K	-636.525753
Energy at 298.15K	-636.527880
HF Energy	-635.795752
Nuclear repulsion energy	140.532915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3117	8.25
2	A'	3276	3103	5.33
3	A'	1763	1670	26.43
4	A'	1360	1288	0.02
5	A'	1256	1190	3.03
6	A'	1206	1143	157.98
7	A'	908	860	41.21
8	A'	461	437	1.88
9	A'	274	259	6.30
10	A"	963	912	40.07
11	A"	837	793	11.94
12	A"	282	267	2.01

Atom	x (Å)	y (Å)
C1	0.000	0.483
C2	1.023	-0.358
Cl3	-1.628	-0.098
F4	2.275	0.089
H5	0.118	1.557
H6	0.943	-1.437

	C1	C2	Cl3	F4	H5	H6
C1		1.3244	1.7284	2.3086	1.0796	2.1391
C2	1.3244		2.6631	1.3293	2.1178	1.0817
Cl3	1.7284	2.6631		3.9067	2.4050	2.8979
F4	2.3086	1.3293	3.9067		2.6090	2.0253
H5	1.0796	2.1178	2.4050	2.6090		3.1049
H6	2.1391	1.0817	2.8979	2.0253	3.1049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.912	C1	C2	H6	125.197
C2	C1	Cl3	120.893	C2	C1	H5	123.188
Cl3	C1	H5	115.919	F4	C2	H6	113.891

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

using model chemistry: CCD/6-31G(2df,p)

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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