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	hartrees
Energy at 0K	-651.531873
Energy at 298.15K	-651.538130
HF Energy	-650.807302
Nuclear repulsion energy	215.569015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3086	16.66
2	A	3230	3044	5.20
3	A	3201	3016	8.67
4	A	3176	2992	13.08
5	A	3159	2977	9.22
6	A	1585	1493	1.31
7	A	1548	1458	7.31
8	A	1492	1406	2.31
9	A	1364	1285	28.72
10	A	1316	1240	1.06
11	A	1253	1181	3.48
12	A	1202	1133	0.54
13	A	1178	1110	1.90
14	A	1145	1079	3.56
15	A	1109	1045	0.03
16	A	1016	958	24.41
17	A	917	864	2.83
18	A	898	846	18.55
19	A	842	793	13.13
20	A	807	760	50.92
21	A	424	399	0.33
22	A	382	360	4.25
23	A	218	205	12.72
24	A	94	89	7.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.394	-0.715	-0.264
Cl2	-1.883	0.225	0.033
C3	0.761	-0.106	0.470
C4	1.646	0.850	-0.193
O5	2.049	-0.524	-0.013
H6	-0.194	-0.719	-1.336
H7	-0.576	-1.737	0.070
H8	0.669	-0.071	1.555
H9	1.441	1.141	-1.221
H10	2.197	1.574	0.402

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7854	1.4985	2.5725	2.4631	1.0906	1.0909	2.2032	2.7802	3.5215
Cl2	1.7854		2.7000	3.5904	4.0022	2.3698	2.3580	2.9855	3.6684	4.3130
C3	1.4985	2.7000		1.4611	1.4371	2.1335	2.1475	1.0896	2.2078	2.2110
C4	2.5725	3.5904	1.4611		1.4438	2.6755	3.4210	2.2039	1.0879	1.0870
O5	2.4631	4.0022	1.4371	1.4438		2.6117	2.8927	2.1371	2.1453	2.1443
H6	1.0906	2.3698	2.1335	2.6755	2.6117		1.7778	3.0862	2.4798	3.7419
H7	1.0909	2.3580	2.1475	3.4210	2.8927	1.7778		2.5558	3.7446	4.3324
H8	2.2032	2.9855	1.0896	2.2039	2.1371	3.0862	2.5558		3.1257	2.5245
H9	2.7802	3.6684	2.2078	1.0879	2.1453	2.4798	3.7446	3.1257		1.8417
H10	3.5215	4.3130	2.2110	1.0870	2.1443	3.7419	4.3324	2.5245	1.8417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.723	C1	C3	O5	114.059
C1	C3	H8	115.800	Cl2	C1	C3	110.308
Cl2	C1	H6	108.551	Cl2	C1	H7	107.672
C3	C1	H6	109.985	C3	C1	H7	111.085
C3	C4	O5	59.298	C3	C4	H9	119.303
C3	C4	H10	119.669	C3	O5	C4	60.953
C4	C3	O5	59.749	C4	C3	H8	118.820
O5	C3	H8	114.821	O5	C4	H9	115.137
O5	C4	H10	115.117	H6	C1	H7	109.171
H9	C4	H10	115.735

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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