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	hartrees
Energy at 0K	-636.427552
Energy at 298.15K	-636.429813
HF Energy	-635.810300
Nuclear repulsion energy	144.121413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3275	3142	8.38
2	A'	3247	3115	3.45
3	A'	1752	1681	55.92
4	A'	1372	1317	26.98
5	A'	1267	1216	33.09
6	A'	1089	1045	80.74
7	A'	822	789	15.90
8	A'	664	637	20.50
9	A'	196	188	1.45
10	A"	891	854	0.07
11	A"	765	734	34.56
12	A"	452	434	7.82

Atom	x (Å)	y (Å)
C1	0.000	0.876
C2	1.259	0.418
Cl3	-1.389	-0.167
F4	1.570	-0.885
H5	-0.200	1.949
H6	2.127	1.085

	C1	C2	Cl3	F4	H5	H6
C1		1.3401	1.7366	2.3590	1.0922	2.1374
C2	1.3401		2.7120	1.3390	2.1159	1.0945
Cl3	1.7366	2.7120		3.0448	2.4270	3.7321
F4	2.3590	1.3390	3.0448		3.3418	2.0467
H5	1.0922	2.1159	2.4270	3.3418		2.4830
H6	2.1374	1.0945	3.7321	2.0467	2.4830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.403	C1	C2	H6	122.467
C2	C1	Cl3	123.121	C2	C1	H5	120.561
Cl3	C1	H5	116.318	F4	C2	H6	114.130

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

using model chemistry: QCISD/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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