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	hartrees
Energy at 0K	-651.619029
Energy at 298.15K	-651.625339
HF Energy	-650.821708
Nuclear repulsion energy	215.715363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3085	15.89
2	A	3262	3039	7.14
3	A	3241	3019	6.70
4	A	3212	2993	14.73
5	A	3191	2973	11.31
6	A	1594	1485	2.82
7	A	1544	1439	7.38
8	A	1500	1398	1.72
9	A	1371	1278	34.82
10	A	1323	1232	1.58
11	A	1257	1171	3.90
12	A	1218	1135	2.40
13	A	1203	1120	0.64
14	A	1155	1076	5.93
15	A	1116	1039	0.12
16	A	1032	961	32.50
17	A	925	862	15.14
18	A	918	855	4.51
19	A	855	796	16.55
20	A	806	751	51.00
21	A	424	395	0.96
22	A	384	357	3.78
23	A	221	206	12.87
24	A	97	91	8.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.680	0.304
Cl2	-1.904	-0.216	-0.046
C3	0.748	0.057	-0.439
C4	1.718	-0.809	0.230
O5	2.038	0.552	-0.076
H6	-0.227	0.656	1.374
H7	-0.540	1.712	-0.001
H8	0.585	-0.071	-1.500
H9	1.586	-1.040	1.279
H10	2.255	-1.561	-0.332

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7846	1.5030	2.5898	2.4712	1.0842	1.0857	2.1881	2.8028	3.5320
Cl2	1.7846		2.6947	3.6796	4.0161	2.3637	2.3620	2.8861	3.8226	4.3799
C3	1.5030	2.6947		1.4612	1.4284	2.1437	2.1434	1.0813	2.2036	2.2129
C4	2.5898	3.6796	1.4612		1.4315	2.6900	3.3924	2.1952	1.0826	1.0817
O5	2.4712	4.0161	1.4284	1.4315		2.6917	2.8287	2.1273	2.1396	2.1394
H6	1.0842	2.3637	2.1437	2.6900	2.6917		1.7619	3.0735	2.4847	3.7397
H7	1.0857	2.3620	2.1434	3.3924	2.8287	1.7619		2.5871	3.7065	4.3171
H8	2.1881	2.8861	1.0813	2.1952	2.1273	3.0735	2.5871		3.1089	2.5243
H9	2.8028	3.8226	2.2036	1.0826	2.1396	2.4847	3.7065	3.1089		1.8207
H10	3.5320	4.3799	2.2129	1.0817	2.1394	3.7397	4.3171	2.5243	1.8207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.768	C1	C3	O5	114.898
C1	C3	H8	114.728	Cl2	C1	C3	109.805
Cl2	C1	H6	108.479	Cl2	C1	H7	108.280
C3	C1	H6	110.872	C3	C1	H7	110.751
C3	C4	O5	59.168	C3	C4	H9	119.307
C3	C4	H10	120.237	C3	O5	C4	61.452
C4	C3	O5	59.380	C4	C3	H8	118.642
O5	C3	H8	115.215	O5	C4	H9	115.959
O5	C4	H10	116.002	H6	C1	H7	108.580
H9	C4	H10	114.549

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

using model chemistry: MP3=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: MP3=FULL/6-31+G**

States and conformations

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