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	hartrees
Energy at 0K	-537.402566
Energy at 298.15K	-537.405312
HF Energy	-536.961148
Nuclear repulsion energy	87.986308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3156	2.85
2	A'	3240	3108	5.50
3	A'	3185	3055	0.13
4	A'	1683	1614	39.68
5	A'	1409	1352	8.10
6	A'	1304	1251	10.70
7	A'	1047	1004	13.38
8	A'	738	708	32.84
9	A'	396	380	0.37
10	A"	970	931	36.81
11	A"	909	872	21.52
12	A"	625	600	8.53

Atom	x (Å)	y (Å)
C1	0.000	0.765
C2	1.315	1.035
Cl3	-0.637	-0.862
H4	-0.776	1.537
H5	2.070	0.242
H6	1.648	2.079

	C1	C2	Cl3	H4	H5	H6
C1		1.3423	1.7470	1.0947	2.1352	2.1075
C2	1.3423		2.7219	2.1503	1.0950	1.0955
Cl3	1.7470	2.7219		2.4028	2.9242	3.7240
H4	1.0947	2.1503	2.4028		3.1269	2.4837
H5	2.1352	1.0950	2.9242	3.1269		1.8841
H6	2.1075	1.0955	3.7240	2.4837	1.8841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.021	C1	C2	H6	119.313
C2	C1	Cl3	123.005	C2	C1	H4	123.532
Cl3	C1	H4	113.464	H5	C2	H6	118.666

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)

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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All results from a given calculation for C2H3Cl (Ethene, chloro-)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃Cl (Ethene, chloro-)