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	hartrees
Energy at 0K	-651.562172
Energy at 298.15K	-651.568459
HF Energy	-650.808091
Nuclear repulsion energy	215.602207

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3066	18.96
2	A	3228	3029	6.73
3	A	3202	3005	8.11
4	A	3175	2979	13.37
5	A	3164	2969	10.29
6	A	1593	1495	1.95
7	A	1551	1455	7.97
8	A	1502	1409	2.12
9	A	1369	1284	28.64
10	A	1325	1244	1.57
11	A	1256	1178	4.51
12	A	1219	1143	1.51
13	A	1193	1119	0.75
14	A	1157	1086	5.66
15	A	1116	1047	0.10
16	A	1034	970	29.38
17	A	932	874	16.98
18	A	917	861	1.81
19	A	860	807	12.97
20	A	809	759	50.49
21	A	426	399	0.50
22	A	385	361	4.25
23	A	221	207	12.70
24	A	93	87	7.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.680	0.301
Cl2	-1.905	-0.217	-0.045
C3	0.751	0.057	-0.440
C4	1.719	-0.809	0.229
O5	2.038	0.553	-0.072
H6	-0.228	0.660	1.377
H7	-0.543	1.717	-0.007
H8	0.591	-0.071	-1.509
H9	1.582	-1.047	1.283
H10	2.258	-1.566	-0.337

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7856	1.5044	2.5904	2.4694	1.0900	1.0911	2.1950	2.8064	3.5377
Cl2	1.7856		2.6993	3.6817	4.0171	2.3667	2.3655	2.8966	3.8225	4.3856
C3	1.5044	2.6993		1.4603	1.4271	2.1506	2.1498	1.0878	2.2084	2.2164
C4	2.5904	3.6817	1.4603		1.4306	2.6953	3.3989	2.1992	1.0890	1.0883
O5	2.4694	4.0171	1.4271	1.4306		2.6918	2.8323	2.1322	2.1454	2.1464
H6	1.0900	2.3667	2.1506	2.6953	2.6918		1.7696	3.0870	2.4897	3.7513
H7	1.0911	2.3655	2.1498	3.3989	2.8323	1.7696		2.5958	3.7176	4.3282
H8	2.1950	2.8966	1.0878	2.1992	2.1322	3.0870	2.5958		3.1190	2.5272
H9	2.8064	3.8225	2.2084	1.0890	2.1454	2.4897	3.7176	3.1190		1.8306
H10	3.5377	4.3856	2.2164	1.0883	2.1464	3.7513	4.3282	2.5272	1.8306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.792	C1	C3	O5	114.759
C1	C3	H8	114.777	Cl2	C1	C3	109.966
Cl2	C1	H6	108.339	Cl2	C1	H7	108.190
C3	C1	H6	110.972	C3	C1	H7	110.838
C3	C4	O5	59.151	C3	C4	H9	119.342
C3	C4	H10	120.127	C3	O5	C4	61.462
C4	C3	O5	59.387	C4	C3	H8	118.592
O5	C3	H8	115.287	O5	C4	H9	116.088
O5	C4	H10	116.223	H6	C1	H7	108.449
H9	C4	H10	114.433

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

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

States and conformations

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