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	hartrees
Energy at 0K	-636.058060
Energy at 298.15K	-636.059938
HF Energy	-635.716081
Nuclear repulsion energy	134.336067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3167	1.41
2	A'	3276	3162	9.19
3	A'	1631	1575	12.91
4	A'	1309	1263	1.56
5	A'	1241	1198	4.06
6	A'	1014	979	107.49
7	A'	796	768	39.52
8	A'	404	390	2.10
9	A'	250	241	9.97
10	A"	922	890	100.14
11	A"	730	705	3.21
12	A"	249	240	3.81

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	1.064	-0.344
Cl3	-1.701	-0.172
F4	2.379	0.208
H5	0.071	1.581
H6	1.063	-1.432

	C1	C2	Cl3	F4	H5	H6
C1		1.3542	1.8272	2.3960	1.0885	2.2000
C2	1.3542		2.7704	1.4260	2.1651	1.0880
Cl3	1.8272	2.7704		4.0978	2.4928	3.0379
F4	2.3960	1.4260	4.0978		2.6849	2.1021
H5	1.0885	2.1651	2.4928	2.6849		3.1713
H6	2.2000	1.0880	3.0379	2.1021	3.1713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.017	C1	C2	H6	128.197
C2	C1	Cl3	120.378	C2	C1	H5	124.478
Cl3	C1	H5	115.145	F4	C2	H6	112.786

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

using model chemistry: MP2/SDD

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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