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	hartrees
Energy at 0K	-636.586170
Energy at 298.15K	-636.588280
HF Energy	-635.869011
Nuclear repulsion energy	140.188364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3089	6.05
2	A'	3297	3079	5.87
3	A'	1757	1641	22.47
4	A'	1371	1280	0.17
5	A'	1286	1201	4.82
6	A'	1185	1107	178.13
7	A'	907	847	48.72
8	A'	460	429	1.92
9	A'	278	260	7.19
10	A"	939	877	60.85
11	A"	794	741	6.73
12	A"	274	256	1.68

Atom	x (Å)	y (Å)
C1	0.000	0.478
C2	1.027	-0.352
Cl3	-1.632	-0.116
F4	2.278	0.122
H5	0.111	1.548
H6	0.971	-1.429

	C1	C2	Cl3	F4	H5	H6
C1		1.3206	1.7368	2.3061	1.0759	2.1391
C2	1.3206		2.6702	1.3381	2.1096	1.0777
Cl3	1.7368	2.6702		3.9181	2.4094	2.9155
F4	2.3061	1.3381	3.9181		2.5946	2.0284
H5	1.0759	2.1096	2.4094	2.5946		3.0980
H6	2.1391	1.0777	2.9155	2.0284	3.0980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.306	C1	C2	H6	125.926
C2	C1	Cl3	121.096	C2	C1	H5	123.024
Cl3	C1	H5	115.880	F4	C2	H6	113.768

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

using model chemistry: MP3=FULL/TZVP

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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