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	hartrees
Energy at 0K	-50.379438
Energy at 298.15K	-50.385625
HF Energy	-49.708243
Nuclear repulsion energy	93.110129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3111	24.97
2	A	3229	3065	10.60
3	A	3191	3029	9.62
4	A	3161	3001	25.93
5	A	3142	2983	19.10
6	A	1558	1480	1.60
7	A	1519	1443	6.51
8	A	1465	1391	1.07
9	A	1340	1272	33.60
10	A	1286	1221	1.45
11	A	1240	1177	3.64
12	A	1176	1117	0.59
13	A	1156	1098	1.66
14	A	1122	1065	3.58
15	A	1084	1029	0.10
16	A	996	945	30.26
17	A	899	853	2.32
18	A	873	829	25.29
19	A	821	779	17.70
20	A	793	753	54.76
21	A	412	391	0.55
22	A	372	354	4.04
23	A	216	205	13.78
24	A	93	89	8.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	-0.714	0.283
Cl2	1.909	0.226	-0.037
C3	-0.763	-0.091	-0.474
C4	-1.685	0.854	0.207
O5	-2.067	-0.542	-0.009
H6	0.209	-0.700	1.366
H7	0.578	-1.747	-0.055
H8	-0.659	-0.043	-1.567
H9	-1.499	1.122	1.254
H10	-2.250	1.578	-0.393

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8069	1.5199	2.6086	2.4886	1.1001	1.1013	2.2334	2.8138	3.5671
Cl2	1.8069		2.7256	3.6562	4.0490	2.3903	2.3798	3.0009	3.7527	4.3873
C3	1.5199	2.7256		1.4853	1.4559	2.1686	2.1714	1.0984	2.2364	2.2366
C4	2.6086	3.6562	1.4853		1.4629	2.7104	3.4570	2.2365	1.0974	1.0971
O5	2.4886	4.0490	1.4559	1.4629		2.6638	2.9063	2.1580	2.1653	2.1621
H6	1.1001	2.3903	2.1686	2.7104	2.6638		1.8032	3.1283	2.5002	3.7857
H7	1.1013	2.3798	2.1714	3.4570	2.9063	1.8032		2.5917	3.7761	4.3776
H8	2.2334	3.0009	1.0984	2.2365	2.1580	3.1283	2.5917		3.1657	2.5564
H9	2.8138	3.7527	2.2364	1.0974	2.1653	2.5002	3.7761	3.1657		1.8672
H10	3.5671	4.3873	2.2366	1.0971	2.1621	3.7857	4.3776	2.5564	1.8672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.457	C1	C3	O5	113.478
C1	C3	H8	116.148	Cl2	C1	C3	109.727
Cl2	C1	H6	108.146	Cl2	C1	H7	107.327
C3	C1	H6	110.703	C3	C1	H7	110.855
C3	C4	O5	59.178	C3	C4	H9	119.214
C3	C4	H10	119.253	C3	O5	C4	61.178
C4	C3	O5	59.644	C4	C3	H8	119.141
O5	C3	H8	114.582	O5	C4	H9	114.745
O5	C4	H10	114.500	H6	C1	H7	109.984
H9	C4	H10	116.608

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

using model chemistry: MP2/CEP-31G*

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/CEP-31G*

States and conformations

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