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	hartrees
Energy at 0K	-537.581228
Energy at 298.15K	-537.584016
HF Energy	-537.001328
Nuclear repulsion energy	89.283918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3143	0.87
2	A'	3270	3104	4.27
3	A'	3221	3058	0.26
4	A'	1672	1587	49.61
5	A'	1426	1354	9.32
6	A'	1317	1251	8.52
7	A'	1056	1003	15.25
8	A'	750	712	33.33
9	A'	400	380	0.31
10	A"	999	949	35.93
11	A"	939	891	30.84
12	A"	651	618	11.21

Atom	x (Å)	y (Å)
C1	0.000	0.756
C2	1.295	1.026
Cl3	-0.627	-0.853
H4	-0.768	1.507
H5	2.039	0.250
H6	1.620	2.051

	C1	C2	Cl3	H4	H5	H6
C1		1.3228	1.7272	1.0734	2.1008	2.0739
C2	1.3228		2.6878	2.1181	1.0747	1.0759
Cl3	1.7272	2.6878		2.3637	2.8851	3.6721
H4	1.0734	2.1181	2.3637		3.0750	2.4490
H5	2.1008	1.0747	2.8851	3.0750		1.8495
H6	2.0739	1.0759	3.6721	2.4490	1.8495

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	122.049	C1	C2	H6	119.318
C2	C1	Cl3	123.033	C2	C1	H4	123.915
Cl3	C1	H4	113.052	H5	C2	H6	118.633

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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