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	hartrees
Energy at 0K	-537.398990
Energy at 298.15K	-537.401749
Nuclear repulsion energy	88.112120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3155	2.62
2	A'	3247	3106	5.19
3	A'	3193	3054	0.07
4	A'	1698	1624	39.91
5	A'	1414	1353	7.76
6	A'	1310	1253	10.45
7	A'	1051	1006	12.86
8	A'	745	713	30.84
9	A'	398	381	0.40
10	A"	977	934	35.43
11	A"	918	878	23.75
12	A"	629	602	8.45

Atom	x (Å)	y (Å)
C1	0.000	0.763
C2	1.312	1.034
Cl3	-0.636	-0.861
H4	-0.775	1.535
H5	2.069	0.243
H6	1.645	2.077

	C1	C2	Cl3	H4	H5	H6
C1		1.3398	1.7441	1.0945	2.1330	2.1057
C2	1.3398		2.7178	2.1469	1.0946	1.0952
Cl3	1.7441	2.7178		2.4005	2.9213	3.7199
H4	1.0945	2.1469	2.4005		3.1240	2.4805
H5	2.1330	1.0946	2.9213	3.1240		1.8827
H6	2.1057	1.0952	3.7199	2.4805	1.8827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.053	C1	C2	H6	119.373
C2	C1	Cl3	123.056	C2	C1	H4	123.443
Cl3	C1	H4	113.501	H5	C2	H6	118.574

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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