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	hartrees
Energy at 0K	-651.536211
Energy at 298.15K	-651.542492
HF Energy	-650.807952
Nuclear repulsion energy	215.403708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3067	19.04
2	A	3228	3030	6.73
3	A	3202	3006	8.20
4	A	3175	2980	13.37
5	A	3164	2970	10.28
6	A	1592	1494	1.91
7	A	1550	1455	7.86
8	A	1500	1408	2.18
9	A	1368	1284	28.94
10	A	1324	1243	1.59
11	A	1254	1177	4.51
12	A	1217	1142	1.52
13	A	1191	1118	0.73
14	A	1155	1084	5.62
15	A	1115	1046	0.10
16	A	1033	969	29.28
17	A	929	872	17.02
18	A	916	860	1.74
19	A	859	806	13.00
20	A	808	758	50.97
21	A	424	398	0.50
22	A	384	361	4.23
23	A	220	206	12.76
24	A	92	87	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.397	-0.718	-0.267
Cl2	-1.887	0.228	0.033
C3	0.766	-0.109	0.468
C4	1.658	0.847	-0.194
O5	2.046	-0.522	-0.010
H6	-0.202	-0.723	-1.339
H7	-0.581	-1.739	0.070
H8	0.670	-0.073	1.553
H9	1.458	1.140	-1.223
H10	2.209	1.570	0.403

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7902	1.5040	2.5838	2.4638	1.0904	1.0907	2.2056	2.7938	3.5315
Cl2	1.7902		2.7092	3.6053	4.0036	2.3726	2.3615	2.9895	3.6873	4.3254
C3	1.5040	2.7092		1.4658	1.4271	2.1399	2.1514	1.0894	2.2133	2.2152
C4	2.5838	3.6053	1.4658		1.4347	2.6896	3.4306	2.2072	1.0883	1.0873
O5	2.4638	4.0036	1.4271	1.4347		2.6187	2.8961	2.1298	2.1395	2.1386
H6	1.0904	2.3726	2.1399	2.6896	2.6187		1.7781	3.0898	2.4974	3.7552
H7	1.0907	2.3615	2.1514	3.4306	2.8961	1.7781		2.5577	3.7569	4.3409
H8	2.2056	2.9895	1.0894	2.2072	2.1298	3.0898	2.5577		3.1295	2.5276
H9	2.7938	3.6873	2.2133	1.0883	2.1395	2.4974	3.7569	3.1295		1.8414
H10	3.5315	4.3254	2.2152	1.0873	2.1386	3.7552	4.3409	2.5276	1.8414

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.916	C1	C3	O5	114.376
C1	C3	H8	115.600	Cl2	C1	C3	110.350
Cl2	C1	H6	108.443	Cl2	C1	H7	107.619
C3	C1	H6	110.117	C3	C1	H7	111.020
C3	C4	O5	58.938	C3	C4	H9	119.393
C3	C4	H10	119.640	C3	O5	C4	61.618
C4	C3	O5	59.444	C4	C3	H8	118.754
O5	C3	H8	114.966	O5	C4	H9	115.307
O5	C4	H10	115.301	H6	C1	H7	109.217
H9	C4	H10	115.643

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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