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	hartrees
Energy at 0K	-651.842764
Energy at 298.15K	-651.848987
HF Energy	-650.916115
Nuclear repulsion energy	216.432646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3104	10.86
2	A	3202	3047	5.90
3	A	3186	3032	4.08
4	A	3157	3004	13.54
5	A	3129	2977	8.90
6	A	1545	1470	2.49
7	A	1501	1428	7.30
8	A	1455	1385	3.47
9	A	1313	1249	20.71
10	A	1284	1221	2.94
11	A	1228	1168	3.86
12	A	1181	1123	0.93
13	A	1163	1107	1.63
14	A	1123	1068	3.24
15	A	1082	1029	0.34
16	A	994	946	26.57
17	A	895	852	2.52
18	A	880	838	23.59
19	A	825	785	12.19
20	A	792	754	46.55
21	A	417	396	0.61
22	A	374	356	3.39
23	A	214	203	10.99
24	A	95	91	6.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.399	0.684	0.305
Cl2	-1.889	-0.216	-0.047
C3	0.740	0.057	-0.438
C4	1.698	-0.810	0.233
O5	2.038	0.548	-0.080
H6	-0.231	0.662	1.378
H7	-0.546	1.716	-0.004
H8	0.573	-0.077	-1.499
H9	1.559	-1.033	1.284
H10	2.227	-1.571	-0.327

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7767	1.4973	2.5753	2.4703	1.0861	1.0875	2.1862	2.7820	3.5179
Cl2	1.7767		2.6726	3.6471	4.0009	2.3561	2.3534	2.8622	3.7856	4.3423
C3	1.4973	2.6726		1.4556	1.4327	2.1464	2.1434	1.0831	2.1964	2.2072
C4	2.5753	3.6471	1.4556		1.4341	2.6831	3.3870	2.1919	1.0835	1.0829
O5	2.4703	4.0009	1.4327	1.4341		2.6994	2.8366	2.1335	2.1425	2.1416
H6	1.0861	2.3561	2.1464	2.6831	2.6994		1.7668	3.0778	2.4673	3.7329
H7	1.0875	2.3534	2.1434	3.3870	2.8366	1.7668		2.5887	3.6947	4.3122
H8	2.1862	2.8622	1.0831	2.1919	2.1335	3.0778	2.5887		3.1040	2.5180
H9	2.7820	3.7856	2.1964	1.0835	2.1425	2.4673	3.6947	3.1040		1.8250
H10	3.5179	4.3423	2.2072	1.0829	2.1416	3.7329	4.3122	2.5180	1.8250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.407	C1	C3	O5	114.918
C1	C3	H8	114.880	Cl2	C1	C3	109.134
Cl2	C1	H6	108.345	Cl2	C1	H7	108.078
C3	C1	H6	111.379	C3	C1	H7	111.052
C3	C4	O5	59.439	C3	C4	H9	119.041
C3	C4	H10	120.083	C3	O5	C4	61.029
C4	C3	O5	59.532	C4	C3	H8	118.665
O5	C3	H8	115.295	O5	C4	H9	115.946
O5	C4	H10	115.916	H6	C1	H7	108.757
H9	C4	H10	114.799

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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