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	hartrees
Energy at 0K	-651.424323
Energy at 298.15K	-651.430695
HF Energy	-650.809121
Nuclear repulsion energy	216.478891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3082	20.67
2	A	3298	3046	6.94
3	A	3272	3022	8.32
4	A	3243	2996	15.36
5	A	3231	2985	12.74
6	A	1639	1514	3.00
7	A	1588	1467	8.24
8	A	1542	1424	2.11
9	A	1403	1296	33.04
10	A	1361	1257	2.22
11	A	1287	1189	5.63
12	A	1255	1160	2.50
13	A	1238	1143	0.65
14	A	1188	1097	6.47
15	A	1145	1058	0.11
16	A	1064	983	34.91
17	A	965	892	19.37
18	A	939	867	1.61
19	A	885	818	15.12
20	A	825	762	61.51
21	A	436	403	0.56
22	A	394	363	4.28
23	A	227	210	13.49
24	A	96	88	8.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	-0.714	-0.265
Cl2	-1.881	0.228	0.033
C3	0.766	-0.106	0.465
C4	1.656	0.839	-0.193
O5	2.033	-0.519	-0.009
H6	-0.207	-0.724	-1.333
H7	-0.579	-1.728	0.073
H8	0.671	-0.070	1.543
H9	1.463	1.129	-1.218
H10	2.208	1.556	0.398

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7837	1.4998	2.5736	2.4502	1.0844	1.0849	2.1954	2.7857	3.5175
Cl2	1.7837		2.7021	3.5959	3.9850	2.3604	2.3499	2.9797	3.6820	4.3149
C3	1.4998	2.7021		1.4556	1.4147	2.1348	2.1430	1.0834	2.2011	2.2024
C4	2.5736	3.5959	1.4556		1.4216	2.6850	3.4142	2.1939	1.0824	1.0815
O5	2.4502	3.9850	1.4147	1.4216		2.6107	2.8802	2.1135	2.1228	2.1219
H6	1.0844	2.3604	2.1348	2.6850	2.6107		1.7676	3.0770	2.4971	3.7453
H7	1.0849	2.3499	2.1430	3.4142	2.8802	1.7676		2.5440	3.7422	4.3203
H8	2.1954	2.9797	1.0834	2.1939	2.1135	3.0770	2.5440		3.1132	2.5146
H9	2.7857	3.6820	2.2011	1.0824	2.1228	2.4971	3.7422	3.1132		1.8300
H10	3.5175	4.3149	2.2024	1.0815	2.1219	3.7453	4.3203	2.5146	1.8300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.102	C1	C3	O5	114.399
C1	C3	H8	115.449	Cl2	C1	C3	110.464
Cl2	C1	H6	108.289	Cl2	C1	H7	107.494
C3	C1	H6	110.368	C3	C1	H7	110.999
C3	C4	O5	58.888	C3	C4	H9	119.562
C3	C4	H10	119.749	C3	O5	C4	61.755
C4	C3	O5	59.357	C4	C3	H8	118.821
O5	C3	H8	114.923	O5	C4	H9	115.268
O5	C4	H10	115.253	H6	C1	H7	109.137
H9	C4	H10	115.501

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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