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	hartrees
Energy at 0K	-651.575819
Energy at 298.15K	-651.582038
HF Energy	-650.841657
Nuclear repulsion energy	214.851200

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3261	3106	17.81
2	A	3207	3055	7.68
3	A	3183	3032	8.13
4	A	3152	3002	14.75
5	A	3131	2982	12.21
6	A	1541	1468	2.02
7	A	1490	1419	6.07
8	A	1450	1381	2.25
9	A	1309	1247	23.89
10	A	1276	1216	3.61
11	A	1216	1158	4.51
12	A	1170	1115	0.97
13	A	1151	1096	1.20
14	A	1120	1067	4.73
15	A	1075	1024	0.19
16	A	995	947	24.07
17	A	891	848	4.48
18	A	883	842	16.51
19	A	827	788	10.04
20	A	794	756	48.42
21	A	417	397	0.34
22	A	374	357	3.53
23	A	213	203	10.99
24	A	93	88	6.37

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	-0.729	-0.262
Cl2	-1.883	0.231	0.032
C3	0.767	-0.122	0.476
C4	1.641	0.857	-0.190
O5	2.056	-0.514	-0.023
H6	-0.195	-0.738	-1.344
H7	-0.593	-1.757	0.078
H8	0.680	-0.094	1.570
H9	1.414	1.156	-1.221
H10	2.189	1.587	0.415

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7943	1.5054	2.5821	2.4724	1.1000	1.1005	2.2177	2.7827	3.5363
Cl2	1.7943		2.7105	3.5860	4.0090	2.3839	2.3697	3.0067	3.6463	4.3096
C3	1.5054	2.7105		1.4712	1.4360	2.1487	2.1636	1.0980	2.2199	2.2241
C4	2.5821	3.5860	1.4712		1.4421	2.6917	3.4485	2.2192	1.0966	1.0957
O5	2.4724	4.0090	1.4360	1.4421		2.6190	2.9274	2.1463	2.1525	2.1505
H6	1.1000	2.3839	2.1487	2.6917	2.6190		1.7935	3.1099	2.4880	3.7665
H7	1.1005	2.3697	2.1636	3.4485	2.9274	1.7935		2.5715	3.7675	4.3631
H8	2.2177	3.0067	1.0980	2.2192	2.1463	3.1099	2.5715		3.1443	2.5371
H9	2.7827	3.6463	2.2199	1.0966	2.1525	2.4880	3.7675	3.1443		1.8611
H10	3.5363	4.3096	2.2241	1.0957	2.1505	3.7665	4.3631	2.5371	1.8611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.326	C1	C3	O5	114.378
C1	C3	H8	115.951	Cl2	C1	C3	110.150
Cl2	C1	H6	108.513	Cl2	C1	H7	107.457
C3	C1	H6	110.151	C3	C1	H7	111.309
C3	C4	O5	59.055	C3	C4	H9	118.929
C3	C4	H10	119.380	C3	O5	C4	61.485
C4	C3	O5	59.460	C4	C3	H8	118.760
O5	C3	H8	115.123	O5	C4	H9	115.294
O5	C4	H10	115.178	H6	C1	H7	109.180
H9	C4	H10	116.185

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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