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	hartrees
Energy at 0K	-193.134107
Energy at 298.15K	-193.140981
Nuclear repulsion energy	124.090361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3180	3086	27.03
2	A	3123	3031	37.52
3	A	3102	3010	10.09
4	A	3099	3007	18.50
5	A	3087	2996	28.62
6	A	3031	2942	18.76
7	A	1518	1473	8.02
8	A	1473	1429	6.12
9	A	1456	1413	5.51
10	A	1429	1387	19.02
11	A	1384	1343	2.95
12	A	1285	1247	5.72
13	A	1176	1141	0.87
14	A	1152	1118	4.20
15	A	1144	1110	0.56
16	A	1112	1079	6.73
17	A	1028	997	9.24
18	A	966	937	13.40
19	A	896	870	2.14
20	A	837	812	45.55
21	A	762	740	7.85
22	A	411	399	4.35
23	A	366	355	4.04
24	A	206	200	0.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.832	-0.794	-0.239
C2	-1.514	0.098	-0.150
H3	-1.422	0.321	-1.221
H4	-2.083	-0.836	-0.037
H5	-2.085	0.905	0.332
C6	-0.155	-0.032	0.487
H7	-0.156	-0.248	1.561
C8	1.045	0.620	-0.062
H9	0.961	1.215	-0.976
H10	1.877	0.882	0.598

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5108	2.6991	2.9219	3.4235	1.4425	2.1238	1.4410	2.1438	2.1448
C2	2.5108		1.0978	1.0993	1.1002	1.5061	2.2119	2.6129	2.8377	3.5592
H3	2.6991	1.0978		1.7826	1.7870	2.1552	3.1091	2.7418	2.5564	3.8080
H4	2.9219	1.0993	1.7826		1.7795	2.1535	2.5717	3.4501	3.7882	4.3624
H5	3.4235	1.1002	1.7870	1.7795		2.1510	2.5621	3.1676	3.3292	3.9707
C6	1.4425	1.5061	2.1552	2.1535	2.1510		1.0958	1.4715	2.2221	2.2303
H7	2.1238	2.2119	3.1091	2.5717	2.5621	1.0958		2.1971	3.1338	2.5165
C8	1.4410	2.6129	2.7418	3.4501	3.1676	1.4715	2.1971		1.0938	1.0932
H9	2.1438	2.8377	2.5564	3.7882	3.3292	2.2221	3.1338	1.0938		1.8508
H10	2.1448	3.5592	3.8080	4.3624	3.9707	2.2303	2.5165	1.0932	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.736	O1	C6	H7	112.874
O1	C6	C8	59.264	O1	C8	C6	59.367
O1	C8	H9	114.815	O1	C8	H10	114.942
C2	C6	H7	115.545	C2	C6	C8	122.682
H3	C2	H4	108.451	H3	C2	H5	108.782
H3	C2	C6	110.748	H4	C2	H5	108.000
H4	C2	C6	110.518	H5	C2	C6	110.267
C6	O1	C8	61.369	C6	C8	H9	119.313
C6	C8	H10	120.104	H7	C6	C8	116.941
H9	C8	H10	115.619

All results from a given calculation for C₃H₆O (Propylene oxide)

using model chemistry: B3LYP/aug-cc-pVDZ

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 C3H6O (Propylene oxide)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₆O (Propylene oxide)