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	hartrees
Energy at 0K	-637.110984
Energy at 298.15K	-637.113251
HF Energy	-637.110984
Nuclear repulsion energy	145.034262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3145	5.88
2	A'	3241	3116	7.49
3	A'	1744	1677	64.90
4	A'	1341	1289	23.04
5	A'	1248	1200	42.28
6	A'	1080	1039	86.65
7	A'	825	793	20.57
8	A'	667	642	21.29
9	A'	195	187	1.33
10	A"	890	856	0.50
11	A"	755	726	47.15
12	A"	461	443	6.75

Atom	x (Å)	y (Å)
C1	0.000	0.865
C2	1.251	0.418
Cl3	-1.381	-0.163
F4	1.561	-0.881
H5	-0.205	1.933
H6	2.119	1.077

	C1	C2	Cl3	F4	H5	H6
C1		1.3287	1.7216	2.3425	1.0873	2.1294
C2	1.3287		2.6953	1.3356	2.1016	1.0895
Cl3	1.7216	2.6953		3.0283	2.4030	3.7128
F4	2.3425	1.3356	3.0283		3.3226	2.0360
H5	1.0873	2.1016	2.4030	3.3226		2.4769
H6	2.1294	1.0895	3.7128	2.0360	2.4769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.088	C1	C2	H6	123.116
C2	C1	Cl3	123.653	C2	C1	H5	120.562
Cl3	C1	H5	115.785	F4	C2	H6	113.797

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

using model chemistry: PBE1PBE/aug-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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Number	Element	Mulliken
1	C	-0.102
2	C	1.318
3	Cl	-0.177
4	F	-0.418
5	H	-0.371
6	H	-0.250