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	hartrees
Energy at 0K	-193.051649
Energy at 298.15K	-193.058397
Nuclear repulsion energy	122.841845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3086	32.07
2	A	3042	3037	36.19
3	A	3017	3011	24.17
4	A	3015	3010	11.72
5	A	3003	2997	32.83
6	A	2954	2949	21.32
7	A	1467	1465	5.09
8	A	1433	1431	5.46
9	A	1418	1415	4.85
10	A	1379	1376	20.92
11	A	1345	1343	2.64
12	A	1240	1237	5.26
13	A	1139	1136	0.65
14	A	1110	1108	3.22
15	A	1101	1099	1.25
16	A	1072	1070	4.92
17	A	992	990	6.83
18	A	922	921	11.06
19	A	865	863	2.79
20	A	792	790	44.06
21	A	708	707	10.38
22	A	399	399	3.82
23	A	354	353	4.17
24	A	198	198	0.36

Atom	x (Å)	y (Å)	z (Å)
O1	-0.845	0.809	-0.231
C2	1.527	-0.094	-0.153
H3	1.436	-0.306	-1.234
H4	2.096	0.846	-0.027
H5	2.106	-0.910	0.322
C6	0.159	0.022	0.491
H7	0.161	0.227	1.575
C8	-1.050	-0.630	-0.068
H9	-0.969	-1.214	-0.997
H10	-1.886	-0.904	0.595

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5385	2.7289	2.9481	3.4588	1.4659	2.1475	1.4628	2.1671	2.1682
C2	2.5385		1.1045	1.1062	1.1075	1.5161	2.2260	2.6337	2.8624	3.5861
H3	2.7289	1.1045		1.7941	1.7982	2.1705	3.1300	2.7653	2.5813	3.8384
H4	2.9481	1.1062	1.7941		1.7899	2.1678	2.5873	3.4758	3.8183	4.3936
H5	3.4588	1.1075	1.7982	1.7899		2.1644	2.5775	3.1923	3.3590	4.0006
C6	1.4659	1.5161	2.1705	2.1678	2.1644		1.1031	1.4831	2.2391	2.2471
H7	2.1475	2.2260	3.1300	2.5873	2.5775	1.1031		2.2132	3.1569	2.5352
C8	1.4628	2.6337	2.7653	3.4758	3.1923	1.4831	2.2132		1.1010	1.1006
H9	2.1671	2.8624	2.5813	3.8183	3.3590	2.2391	3.1569	1.1010		1.8630
H10	2.1682	3.5861	3.8384	4.3936	4.0006	2.2471	2.5352	1.1006	1.8630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.693	O1	C6	H7	112.660
O1	C6	C8	59.474	O1	C8	C6	59.677
O1	C8	H9	114.662	O1	C8	H10	114.791
C2	C6	H7	115.494	C2	C6	C8	122.830
H3	C2	H4	108.486	H3	C2	H5	108.763
H3	C2	C6	110.858	H4	C2	H5	107.908
H4	C2	C6	110.542	H5	C2	C6	110.203
C6	O1	C8	60.849	C6	C8	H9	119.368
C6	C8	H10	120.125	H7	C6	C8	116.922
H9	C8	H10	115.600

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.563
2	C	0.668
3	H	-0.333
4	H	-0.233
5	H	-0.246
6	C	1.211
7	H	-0.713
8	C	1.462
9	H	-0.636
10	H	-0.616

	x	y	z	Total
	0.897	-1.671	0.637	2.001
CHELPG
AIM
ESP

	x	y	z
x	7.482	0.352	0.108
y	0.352	6.088	0.069
z	0.108	0.069	6.069

<r²>	77.059
(<r²>)^1/2	8.778

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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