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	hartrees
Energy at 0K	-192.883556
Energy at 298.15K	-192.890362
Nuclear repulsion energy	123.689253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3102	3067	32.68
2	A	3070	3035	23.85
3	A	3051	3016	17.28
4	A	3027	2993	22.05
5	A	3016	2981	30.13
6	A	2976	2942	19.46
7	A	1486	1469	8.66
8	A	1453	1436	7.70
9	A	1437	1421	6.64
10	A	1397	1381	25.20
11	A	1356	1341	4.13
12	A	1259	1245	4.01
13	A	1146	1133	1.00
14	A	1123	1111	4.27
15	A	1107	1094	0.31
16	A	1089	1077	8.31
17	A	1004	993	11.80
18	A	951	940	13.70
19	A	877	867	3.30
20	A	831	822	42.25
21	A	758	749	8.15
22	A	399	395	4.33
23	A	355	351	3.84
24	A	215	212	0.41

Atom	x (Å)	y (Å)	z (Å)
O1	0.835	-0.796	-0.242
C2	-1.516	0.099	-0.150
H3	-1.422	0.332	-1.223
H4	-2.089	-0.839	-0.049
H5	-2.093	0.904	0.337
C6	-0.156	-0.037	0.489
H7	-0.159	-0.256	1.569
C8	1.046	0.622	-0.060
H9	0.956	1.228	-0.973
H10	1.881	0.890	0.602

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5176	2.7074	2.9312	3.4353	1.4470	2.1355	1.4450	2.1548	2.1563
C2	2.5176		1.1021	1.1033	1.1041	1.5093	2.2192	2.6172	2.8395	3.5687
H3	2.7074	1.1021		1.7869	1.7921	2.1616	3.1207	2.7443	2.5532	3.8153
H4	2.9312	1.1033	1.7869		1.7853	2.1613	2.5859	3.4594	3.7941	4.3794
H5	3.4353	1.1041	1.7921	1.7853		2.1591	2.5703	3.1773	3.3342	3.9833
C6	1.4470	1.5093	2.1616	2.1613	2.1591		1.1017	1.4772	2.2303	2.2410
H7	2.1355	2.2192	3.1207	2.5859	2.5703	1.1017		2.2087	3.1476	2.5317
C8	1.4450	2.6172	2.7443	3.4594	3.1773	1.4772	2.2087		1.0995	1.0989
H9	2.1548	2.8395	2.5532	3.7941	3.3342	2.2303	3.1476	1.0995		1.8584
H10	2.1563	3.5687	3.8153	4.3794	3.9833	2.2410	2.5317	1.0989	1.8584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.756	O1	C6	H7	113.138
O1	C6	C8	59.218	O1	C8	C6	59.349
O1	C8	H9	115.071	O1	C8	H10	115.236
C2	C6	H7	115.524	C2	C6	C8	122.406
H3	C2	H4	108.244	H3	C2	H5	108.643
H3	C2	C6	110.773	H4	C2	H5	107.954
H4	C2	C6	110.680	H5	C2	C6	110.457
C6	O1	C8	61.433	C6	C8	H9	119.174
C6	C8	H10	120.182	H7	C6	C8	117.093
H9	C8	H10	115.415

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

using model chemistry: PBEPBE/6-31+G**

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	-0.290
2	C	-0.602
3	H	0.176
4	H	0.182
5	H	0.174
6	C	0.091
7	H	0.155
8	C	-0.196
9	H	0.154
10	H	0.156

	x	y	z	Total
	-0.908	1.717	0.675	2.056
CHELPG
AIM
ESP

	x	y	z
x	6.832	0.410	-0.126
y	0.410	5.432	-0.127
z	-0.126	-0.127	5.518

<r²>	76.082
(<r²>)^1/2	8.722

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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