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	hartrees
Energy at 0K	-191.954042
Energy at 298.15K	-191.960721
Nuclear repulsion energy	121.181531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3109	3092	40.13
2	A	3059	3043	33.52
3	A	3039	3022	4.75
4	A	3026	3009	19.52
5	A	3024	3007	21.11
6	A	2974	2958	17.43
7	A	1529	1520	7.34
8	A	1523	1514	0.54
9	A	1514	1506	4.15
10	A	1426	1419	6.41
11	A	1383	1375	12.04
12	A	1204	1197	2.57
13	A	1164	1158	2.27
14	A	1112	1106	2.35
15	A	1084	1078	9.63
16	A	1073	1067	4.31
17	A	981	976	3.17
18	A	934	929	7.98
19	A	866	861	1.26
20	A	767	763	18.13
21	A	687	683	6.95
22	A	393	391	1.22
23	A	329	327	6.94
24	A	191	190	0.51

Atom	x (Å)	y (Å)	z (Å)
O1	-0.869	0.849	-0.209
C2	1.523	-0.077	-0.165
H3	1.389	-0.231	-1.247
H4	2.086	0.860	-0.015
H5	2.119	-0.911	0.247
C6	0.167	-0.000	0.518
H7	0.174	0.136	1.606
C8	-1.033	-0.661	-0.094
H9	-0.906	-1.219	-1.027
H10	-1.850	-0.997	0.553

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5657	2.7095	2.9614	3.4976	1.5247	2.2113	1.5229	2.2247	2.2244
C2	2.5657		1.1011	1.1031	1.1041	1.5199	2.2360	2.6228	2.8189	3.5689
H3	2.7095	1.1011		1.7866	1.7961	2.1586	3.1219	2.7162	2.5076	3.7832
H4	2.9614	1.1031	1.7866		1.7898	2.1690	2.6086	3.4706	3.7808	4.3885
H5	3.4976	1.1041	1.7961	1.7898		2.1704	2.5931	3.1802	3.2964	3.9816
C6	1.5247	1.5199	2.1586	2.1690	2.1704		1.0962	1.5006	2.2417	2.2501
H7	2.2113	2.2360	3.1219	2.6086	2.5931	1.0962		2.2321	3.1522	2.5475
C8	1.5229	2.6228	2.7162	3.4706	3.1802	1.5006	2.2321		1.0950	1.0948
H9	2.2247	2.8189	2.5076	3.7808	3.2964	2.2417	3.1522	1.0950		1.8541
H10	2.2244	3.5689	3.7832	4.3885	3.9816	2.2501	2.5475	1.0948	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	114.851	O1	C6	H7	114.069
O1	C6	C8	60.442	O1	C8	C6	60.563
O1	C8	H9	115.405	O1	C8	H10	115.401
C2	C6	H7	116.521	C2	C6	C8	120.528
H3	C2	H4	108.302	H3	C2	H5	109.078
H3	C2	C6	109.859	H4	C2	H5	108.370
H4	C2	C6	110.566	H5	C2	C6	110.610
C6	O1	C8	58.995	C6	C8	H9	118.618
C6	C8	H10	119.396	H7	C6	C8	117.693
H9	C8	H10	115.712

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

using model chemistry: BLYP/3-21G

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	-0.384
2	C	-0.532
3	H	0.193
4	H	0.197
5	H	0.180
6	C	-0.029
7	H	0.182
8	C	-0.177
9	H	0.184
10	H	0.186

	x	y	z	Total
	0.956	-1.783	0.605	2.112
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	77.385
(<r²>)^1/2	8.797

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

using model chemistry: BLYP/3-21G

States and conformations

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