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	hartrees
Energy at 0K	-636.587015
Energy at 298.15K	-636.589294
HF Energy	-635.869885
Nuclear repulsion energy	145.225169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3098	6.67
2	A'	3285	3068	4.85
3	A'	1766	1649	57.32
4	A'	1402	1309	24.64
5	A'	1301	1215	35.66
6	A'	1113	1039	93.06
7	A'	835	780	16.34
8	A'	671	627	22.13
9	A'	203	189	1.67
10	A"	865	808	0.17
11	A"	763	713	46.11
12	A"	451	421	9.11

Atom	x (Å)	y (Å)
C1	0.000	0.867
C2	1.248	0.432
Cl3	-1.380	-0.179
F4	1.564	-0.862
H5	-0.212	1.921
H6	2.104	1.087

	C1	C2	Cl3	F4	H5	H6
C1		1.3215	1.7315	2.3311	1.0751	2.1154
C2	1.3215		2.6973	1.3314	2.0852	1.0781
Cl3	1.7315	2.6973		3.0213	2.4033	3.7064
F4	2.3311	1.3314	3.0213		3.3009	2.0218
H5	1.0751	2.0852	2.4033	3.3009		2.4615
H6	2.1154	1.0781	3.7064	2.0218	2.4615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.972	C1	C2	H6	123.352
C2	C1	Cl3	123.581	C2	C1	H5	120.593
Cl3	C1	H5	115.826	F4	C2	H6	113.676

All results from a given calculation for CHFCHClz ((Z)-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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