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	hartrees
Energy at 0K	-648.175208
Energy at 298.15K	-648.181312
HF Energy	-647.644815
Nuclear repulsion energy	211.653554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3116	14.24
2	A	3221	3065	6.15
3	A	3204	3048	1.37
4	A	3174	3019	6.32
5	A	3144	2991	5.68
6	A	1595	1518	3.01
7	A	1575	1498	6.59
8	A	1454	1383	1.21
9	A	1358	1292	22.54
10	A	1273	1211	1.79
11	A	1235	1175	1.24
12	A	1171	1114	2.29
13	A	1159	1103	13.48
14	A	1102	1048	1.84
15	A	1064	1012	1.55
16	A	952	905	4.19
17	A	928	883	2.73
18	A	811	771	7.61
19	A	754	717	10.66
20	A	728	693	45.05
21	A	432	411	0.25
22	A	354	336	3.28
23	A	205	195	15.63
24	A	88	84	8.47

Atom	x (Å)	y (Å)	z (Å)
C1	-0.379	-0.756	-0.243
Cl2	-1.894	0.222	0.022
C3	0.766	-0.125	0.505
C4	1.588	0.912	-0.175
O5	2.121	-0.521	-0.065
H6	-0.164	-0.762	-1.313
H7	-0.584	-1.769	0.102
H8	0.699	-0.123	1.588
H9	1.311	1.221	-1.179
H10	2.119	1.643	0.424

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8221	1.5065	2.5796	2.5176	1.0909	1.0904	2.2171	2.7640	3.5266
Cl2	1.8221		2.7256	3.5549	4.0840	2.3966	2.3845	3.0480	3.5658	4.2755
C3	1.5065	2.7256		1.4875	1.5221	2.1385	2.1654	1.0851	2.2232	2.2273
C4	2.5796	3.5549	1.4875		1.5330	2.6760	3.4616	2.2293	1.0855	1.0839
O5	2.5176	4.0840	1.5221	1.5330		2.6143	2.9839	2.2164	2.2205	2.2184
H6	1.0909	2.3966	2.1385	2.6760	2.6143		1.7873	3.0926	2.4745	3.7422
H7	1.0904	2.3845	2.1654	3.4616	2.9839	1.7873		2.5619	3.7649	4.3647
H8	2.2171	3.0480	1.0851	2.2293	2.2164	3.0926	2.5619		3.1359	2.5473
H9	2.7640	3.5658	2.2232	1.0855	2.2205	2.4745	3.7649	3.1359		1.8430
H10	3.5266	4.2755	2.2273	1.0839	2.2184	3.7422	4.3647	2.5473	1.8430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	118.986	C1	C3	O5	112.460
C1	C3	H8	116.695	Cl2	C1	C3	109.575
Cl2	C1	H6	108.077	Cl2	C1	H7	107.230
C3	C1	H6	109.800	C3	C1	H7	111.998
C3	C4	O5	60.496	C3	C4	H9	118.716
C3	C4	H10	119.198	C3	O5	C4	58.272
C4	C3	O5	61.232	C4	C3	H8	119.296
O5	C3	H8	115.424	O5	C4	H9	114.919
O5	C4	H10	114.841	H6	C1	H7	110.052
H9	C4	H10	116.325

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)

using model chemistry: MP2/3-21G*

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 C3H5ClO (Oxirane, (chloromethyl)-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)