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	hartrees
Energy at 0K	-636.462270
Energy at 298.15K	-636.464504
HF Energy	-635.824215
Nuclear repulsion energy	144.118208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3292	3190	3.64
2	A'	3268	3168	9.88
3	A'	1705	1652	58.01
4	A'	1342	1301	21.02
5	A'	1237	1199	29.83
6	A'	1060	1028	85.45
7	A'	817	792	18.82
8	A'	660	640	20.31
9	A'	193	187	1.52
10	A"	859	832	0.78
11	A"	749	726	45.10
12	A"	450	436	7.02

Atom	x (Å)	y (Å)
C1	0.000	0.876
C2	1.262	0.419
Cl3	-1.385	-0.158
F4	1.560	-0.899
H5	-0.194	1.947
H6	2.136	1.071

	C1	C2	Cl3	F4	H5	H6
C1		1.3420	1.7291	2.3636	1.0888	2.1443
C2	1.3420		2.7095	1.3518	2.1109	1.0899
Cl3	1.7291	2.7095		3.0374	2.4194	3.7293
F4	2.3636	1.3518	3.0374		3.3441	2.0523
H5	1.0888	2.1109	2.4194	3.3441		2.4894
H6	2.1443	1.0899	3.7293	2.0523	2.4894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.664	C1	C2	H6	123.379
C2	C1	Cl3	123.338	C2	C1	H5	120.192
Cl3	C1	H5	116.470	F4	C2	H6	113.957

All results from a given calculation for CHFCHClz ((Z)-1-Chloro-2-fluoroethene)

using model chemistry: MP2=FULL/aug-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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