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	hartrees
Energy at 0K	-49.974632
Energy at 298.15K	-49.980619
HF Energy	-49.582334
Nuclear repulsion energy	90.278169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3161	32.53
2	A	3217	3109	15.71
3	A	3181	3074	9.78
4	A	3145	3039	25.08
5	A	3117	3012	23.42
6	A	1533	1481	1.40
7	A	1510	1460	6.30
8	A	1439	1390	0.26
9	A	1345	1299	31.26
10	A	1259	1216	0.44
11	A	1235	1194	0.96
12	A	1157	1118	8.39
13	A	1147	1109	1.84
14	A	1079	1043	1.61
15	A	1040	1005	0.28
16	A	944	912	7.02
17	A	909	879	2.37
18	A	780	753	26.88
19	A	716	692	34.24
20	A	690	667	22.33
21	A	398	385	0.19
22	A	344	333	4.93
23	A	201	194	18.96
24	A	88	85	11.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.795	-0.653	0.272
Cl2	2.336	0.408	-0.068
C3	-0.404	-0.070	-0.488
C4	-1.380	0.863	0.197
O5	-1.760	-0.630	0.004
H6	0.631	-0.635	1.364
H7	1.043	-1.671	-0.078
H8	-0.316	-0.035	-1.585
H9	-1.211	1.148	1.245
H10	-1.979	1.554	-0.414

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.9015	1.5344	2.6528	2.5691	1.1045	1.1047	2.2499	2.8666	3.6106
Cl2	1.9015		2.8126	3.7531	4.2257	2.4586	2.4486	3.0861	3.8538	4.4773
C3	1.5344	2.8126		1.5140	1.5470	2.1954	2.1969	1.1013	2.2667	2.2635
C4	2.6528	3.7531	1.5140		1.5525	2.7669	3.5175	2.2611	1.0997	1.0993
O5	2.5691	4.2257	1.5470	1.5525		2.7511	2.9915	2.2280	2.2369	2.2343
H6	1.1045	2.4586	2.1954	2.7669	2.7511		1.8224	3.1546	2.5673	3.8430
H7	1.1047	2.4486	2.1969	3.5175	2.9915	1.8224		2.6069	3.8448	4.4328
H8	2.2499	3.0861	1.1013	2.2611	2.2280	3.1546	2.6069		3.1951	2.5809
H9	2.8666	3.8538	2.2667	1.0997	2.2369	2.5673	3.8448	3.1951		1.8725
H10	3.6106	4.4773	2.2635	1.0993	2.2343	3.8430	4.4328	2.5809	1.8725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.970	C1	C3	O5	112.974
C1	C3	H8	116.256	Cl2	C1	C3	109.423
Cl2	C1	H6	106.727	Cl2	C1	H7	106.021
C3	C1	H6	111.558	C3	C1	H7	111.670
C3	C4	O5	60.578	C3	C4	H9	119.435
C3	C4	H10	119.181	C3	O5	C4	58.481
C4	C3	O5	60.941	C4	C3	H8	118.826
O5	C3	H8	113.490	O5	C4	H9	113.917
O5	C4	H10	113.733	H6	C1	H7	111.156
H9	C4	H10	116.764

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)-)