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	hartrees
Energy at 0K	-636.509953
Energy at 298.15K	-636.512223
HF Energy	-635.869645
Nuclear repulsion energy	145.003410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3297	3125	6.89
2	A'	3267	3097	4.54
3	A'	1761	1669	55.16
4	A'	1398	1325	24.51
5	A'	1295	1228	33.00
6	A'	1106	1048	91.76
7	A'	831	788	15.95
8	A'	667	632	21.48
9	A'	202	192	1.68
10	A"	865	820	0.15
11	A"	761	721	44.67
12	A"	448	425	8.70

Atom	x (Å)	y (Å)
C1	0.000	0.868
C2	1.249	0.432
Cl3	-1.381	-0.179
F4	1.566	-0.864
H5	-0.212	1.925
H6	2.108	1.087

	C1	C2	Cl3	F4	H5	H6
C1		1.3230	1.7332	2.3353	1.0774	2.1195
C2	1.3230		2.7006	1.3348	2.0883	1.0800
Cl3	1.7332	2.7006		3.0259	2.4066	3.7120
F4	2.3353	1.3348	3.0259		3.3072	2.0252
H5	1.0774	2.0883	2.4066	3.3072		2.4665
H6	2.1195	1.0800	3.7120	2.0252	2.4665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.958	C1	C2	H6	123.459
C2	C1	Cl3	123.612	C2	C1	H5	120.564
Cl3	C1	H5	115.824	F4	C2	H6	113.584

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

using model chemistry: CCD/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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