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	hartrees
Energy at 0K	-636.485010
Energy at 298.15K	-636.487268
HF Energy	-635.824767
Nuclear repulsion energy	144.134142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3301	4.81
2	A'	3275	3275	6.84
3	A'	1748	1748	56.06
4	A'	1362	1362	24.35
5	A'	1254	1254	32.42
6	A'	1080	1080	82.29
7	A'	819	819	17.72
8	A'	663	663	22.48
9	A'	196	196	1.66
10	A"	881	881	0.43
11	A"	760	760	42.66
12	A"	452	452	6.73

Atom	x (Å)	y (Å)
C1	0.000	0.875
C2	1.260	0.426
Cl3	-1.387	-0.169
F4	1.567	-0.885
H5	-0.207	1.942
H6	2.129	1.083

	C1	C2	Cl3	F4	H5	H6
C1		1.3376	1.7360	2.3561	1.0875	2.1393
C2	1.3376		2.7135	1.3462	2.1098	1.0894
Cl3	1.7360	2.7135		3.0399	2.4188	3.7327
F4	2.3561	1.3462	3.0399		3.3375	2.0464
H5	1.0875	2.1098	2.4188	3.3375		2.4891
H6	2.1393	1.0894	3.7327	2.0464	2.4891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.778	C1	C2	H6	123.311
C2	C1	Cl3	123.453	C2	C1	H5	120.565
Cl3	C1	H5	115.982	F4	C2	H6	113.910

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

using model chemistry: MP3=FULL/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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