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	hartrees
Energy at 0K	-636.570487
Energy at 298.15K	-636.572802
HF Energy	-635.797145
Nuclear repulsion energy	145.968409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3119	7.72
2	A'	3265	3075	3.97
3	A'	1777	1673	54.24
4	A'	1397	1316	23.99
5	A'	1299	1223	34.23
6	A'	1118	1053	68.31
7	A'	841	792	15.16
8	A'	680	640	19.11
9	A'	200	189	1.41
10	A"	927	873	0.08
11	A"	785	740	32.12
12	A"	471	443	6.95

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.242	0.415
Cl3	-1.370	-0.168
F4	1.550	-0.870
H5	-0.205	1.925
H6	2.102	1.070

	C1	C2	Cl3	F4	H5	H6
C1		1.3222	1.7181	2.3284	1.0770	2.1119
C2	1.3222		2.6769	1.3213	2.0916	1.0810
Cl3	1.7181	2.6769		3.0030	2.3960	3.6868
F4	2.3284	1.3213	3.0030		3.3003	2.0172
H5	1.0770	2.0916	2.3960	3.3003		2.4607
H6	2.1119	1.0810	3.6868	2.0172	2.4607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.478	C1	C2	H6	122.680
C2	C1	Cl3	122.874	C2	C1	H5	121.005
Cl3	C1	H5	116.121	F4	C2	H6	113.842

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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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