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	hartrees
Energy at 0K	-636.769950
Energy at 298.15K	-636.772271
HF Energy	-635.888776
Nuclear repulsion energy	146.094176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3313	3313	4.65
2	A'	3262	3262	7.30
3	A'	1774	1774	61.03
4	A'	1391	1391	26.65
5	A'	1288	1288	36.85
6	A'	1111	1111	80.01
7	A'	837	837	16.03
8	A'	678	678	21.10
9	A'	199	199	1.60
10	A"	930	930	0.36
11	A"	785	785	41.92
12	A"	472	472	6.78

Atom	x (Å)	y (Å)
C1	0.000	0.860
C2	1.243	0.420
Cl3	-1.372	-0.169
F4	1.552	-0.867
H5	-0.193	1.913
H6	2.092	1.076

	C1	C2	Cl3	F4	H5	H6
C1		1.3182	1.7147	2.3222	1.0701	2.1033
C2	1.3182		2.6799	1.3238	2.0711	1.0736
Cl3	1.7147	2.6799		3.0063	2.3918	3.6810
F4	2.3222	1.3238	3.0063		3.2823	2.0173
H5	1.0701	2.0711	2.3918	3.2823		2.4335
H6	2.1033	1.0736	3.6810	2.0173	2.4335

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.025	C1	C2	H6	122.798
C2	C1	Cl3	123.630	C2	C1	H5	119.907
Cl3	C1	H5	116.463	F4	C2	H6	114.177

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

using model chemistry: MP3=FULL/aug-cc-pVTZ

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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