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	hartrees
Energy at 0K	-651.587793
Energy at 298.15K	-651.594061
HF Energy	-650.820622
Nuclear repulsion energy	215.576606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	3108	12.39
2	A	3252	3054	4.99
3	A	3228	3032	7.12
4	A	3202	3007	13.73
5	A	3173	2980	10.04
6	A	1576	1480	2.27
7	A	1531	1438	7.27
8	A	1483	1393	1.72
9	A	1360	1278	33.55
10	A	1308	1229	1.05
11	A	1251	1175	2.72
12	A	1196	1123	0.99
13	A	1181	1109	1.40
14	A	1138	1069	3.31
15	A	1103	1036	0.14
16	A	1008	947	27.30
17	A	916	860	1.75
18	A	885	831	24.34
19	A	827	777	16.67
20	A	803	754	51.07
21	A	421	396	0.73
22	A	380	357	3.89
23	A	218	205	13.15
24	A	99	93	7.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.394	-0.712	0.270
Cl2	1.883	0.223	-0.034
C3	-0.757	-0.100	-0.466
C4	-1.648	0.851	0.197
O5	-2.051	-0.528	0.002
H6	0.195	-0.708	1.338
H7	0.570	-1.732	-0.061
H8	-0.659	-0.059	-1.546
H9	-1.453	1.124	1.226
H10	-2.198	1.570	-0.393

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7847	1.4975	2.5721	2.4667	1.0863	1.0867	2.1989	2.7742	3.5170
Cl2	1.7847		2.6949	3.5938	4.0057	2.3670	2.3550	2.9714	3.6786	4.3131
C3	1.4975	2.6949		1.4618	1.4414	2.1291	2.1419	1.0844	2.2018	2.2073
C4	2.5721	3.5938	1.4618		1.4496	2.6697	3.4137	2.2001	1.0827	1.0815
O5	2.4667	4.0057	1.4414	1.4496		2.6196	2.8851	2.1337	2.1414	2.1404
H6	1.0863	2.3670	2.1291	2.6697	2.6196		1.7740	3.0772	2.4668	3.7306
H7	1.0867	2.3550	2.1419	3.4137	2.8851	1.7740		2.5522	3.7291	4.3217
H8	2.1989	2.9714	1.0844	2.2001	2.1337	3.0772	2.5522		3.1166	2.5198
H9	2.7742	3.6786	2.2018	1.0827	2.1414	2.4668	3.7291	3.1166		1.8380
H10	3.5170	4.3131	2.2073	1.0815	2.1404	3.7306	4.3217	2.5198	1.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.714	C1	C3	O5	114.129
C1	C3	H8	115.856	Cl2	C1	C3	110.075
Cl2	C1	H6	108.614	Cl2	C1	H7	107.712
C3	C1	H6	109.961	C3	C1	H7	110.965
C3	C4	O5	59.349	C3	C4	H9	119.084
C3	C4	H10	119.676	C3	O5	C4	60.750
C4	C3	O5	59.902	C4	C3	H8	118.800
O5	C3	H8	114.557	O5	C4	H9	114.709
O5	C4	H10	114.702	H6	C1	H7	109.455
H9	C4	H10	116.264

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

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

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/6-31+G**

States and conformations

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