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	hartrees
Energy at 0K	-193.043398
Energy at 298.15K	-193.050233
Nuclear repulsion energy	122.576303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3230	3107	30.89
2	A	3158	3038	34.94
3	A	3136	3017	23.14
4	A	3132	3013	0.69
5	A	3118	2999	21.45
6	A	3047	2931	19.30
7	A	1551	1492	1.49
8	A	1542	1483	7.78
9	A	1529	1471	5.95
10	A	1466	1410	11.60
11	A	1446	1391	8.30
12	A	1288	1239	2.22
13	A	1210	1164	1.82
14	A	1169	1124	5.12
15	A	1154	1110	3.45
16	A	1117	1075	7.25
17	A	1035	996	4.51
18	A	969	933	7.55
19	A	910	875	0.56
20	A	805	775	35.70
21	A	713	686	6.87
22	A	410	395	2.97
23	A	361	347	7.51
24	A	205	198	0.56

Atom	x (Å)	y (Å)	z (Å)
O1	-0.860	0.830	-0.213
C2	1.517	-0.081	-0.158
H3	1.412	-0.239	-1.236
H4	2.083	0.844	-0.003
H5	2.099	-0.911	0.262
C6	0.165	0.004	0.499
H7	0.169	0.174	1.574
C8	-1.031	-0.648	-0.082
H9	-0.937	-1.199	-1.014
H10	-1.850	-0.958	0.561

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5455	2.7113	2.9505	3.4655	1.4966	2.1633	1.4938	2.1826	2.1854
C2	2.5455		1.0946	1.0956	1.0972	1.5049	2.2096	2.6114	2.8291	3.5527
H3	2.7113	1.0946		1.7729	1.7795	2.1502	3.1007	2.7333	2.5477	3.7934
H4	2.9505	1.0956	1.7729		1.7743	2.1533	2.5693	3.4544	3.7839	4.3631
H5	3.4655	1.0972	1.7795	1.7743		2.1522	2.5742	3.1602	3.3061	3.9610
C6	1.4966	1.5049	2.1502	2.1533	2.1522		1.0888	1.4810	2.2247	2.2338
H7	2.1633	2.2096	3.1007	2.5693	2.5742	1.0888		2.2041	3.1316	2.5266
C8	1.4938	2.6114	2.7333	3.4544	3.1602	1.4810	2.2041		1.0868	1.0862
H9	2.1826	2.8291	2.5477	3.7839	3.3061	2.2247	3.1316	1.0868		1.8364
H10	2.1854	3.5527	3.7934	4.3631	3.9610	2.2338	2.5266	1.0862	1.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.008	O1	C6	H7	112.640
O1	C6	C8	60.220	O1	C8	C6	60.407
O1	C8	H9	114.597	O1	C8	H10	114.875
C2	C6	H7	115.914	C2	C6	C8	121.988
H3	C2	H4	108.086	H3	C2	H5	108.561
H3	C2	C6	110.628	H4	C2	H5	108.026
H4	C2	C6	110.816	H5	C2	C6	110.629
C6	O1	C8	59.373	C6	C8	H9	119.292
C6	C8	H10	120.170	H7	C6	C8	117.304
H9	C8	H10	115.370

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

using model chemistry: B3LYP/6-31G

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	-0.472
2	C	-0.409
3	H	0.151
4	H	0.157
5	H	0.141
6	C	0.065
7	H	0.148
8	C	-0.084
9	H	0.150
10	H	0.152

	x	y	z	Total
	1.126	-2.152	0.756	2.544
CHELPG
AIM
ESP

	x	y	z
x	5.737	0.500	0.255
y	0.500	4.537	0.207
z	0.255	0.207	4.529

<r²>	76.411
(<r²>)^1/2	8.741

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

using model chemistry: B3LYP/6-31G

States and conformations

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