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	hartrees
Energy at 0K	-636.406684
Energy at 298.15K	-636.408781
HF Energy	-635.809634
Nuclear repulsion energy	139.534758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3124	4.75
2	A'	3280	3117	7.76
3	A'	1721	1636	24.93
4	A'	1325	1259	0.06
5	A'	1234	1173	3.31
6	A'	1173	1115	165.40
7	A'	906	861	44.72
8	A'	456	434	1.92
9	A'	271	257	6.10
10	A"	938	892	50.73
11	A"	802	762	13.76
12	A"	278	265	1.57

Atom	x (Å)	y (Å)
C1	0.000	0.485
C2	1.023	-0.381
Cl3	-1.638	-0.070
F4	2.294	0.052
H5	0.151	1.566
H6	0.918	-1.468

	C1	C2	Cl3	F4	H5	H6
C1		1.3406	1.7300	2.3345	1.0911	2.1586
C2	1.3406		2.6794	1.3429	2.1337	1.0920
Cl3	1.7300	2.6794		3.9343	2.4243	2.9140
F4	2.3345	1.3429	3.9343		2.6240	2.0504
H5	1.0911	2.1337	2.4243	2.6240		3.1298
H6	2.1586	1.0920	2.9140	2.0504	3.1298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.899	C1	C2	H6	124.773
C2	C1	Cl3	121.001	C2	C1	H5	122.338
Cl3	C1	H5	116.661	F4	C2	H6	114.328

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

using model chemistry: MP2=FULL/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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