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	hartrees
Energy at 0K	-36.490565
Energy at 298.15K	-36.497372
Nuclear repulsion energy	69.205063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3070	53.15
2	A	3132	3024	56.19
3	A	3109	3002	33.75
4	A	3108	3001	16.57
5	A	3091	2985	41.79
6	A	3045	2940	26.62
7	A	1529	1477	6.20
8	A	1494	1443	7.20
9	A	1480	1429	5.31
10	A	1439	1389	18.06
11	A	1393	1345	6.17
12	A	1280	1236	3.35
13	A	1173	1133	0.77
14	A	1150	1110	5.22
15	A	1140	1101	0.46
16	A	1115	1076	9.54
17	A	1026	991	13.06
18	A	962	929	14.72
19	A	890	859	2.64
20	A	836	808	47.95
21	A	766	740	6.21
22	A	397	384	4.75
23	A	355	343	4.05
24	A	205	198	0.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.838	-0.785	-0.338
C2	-1.508	0.127	-0.123
H3	-1.410	0.481	-1.162
H4	-2.090	-0.812	-0.129
H5	-2.075	0.879	0.457
C6	-0.133	-0.101	0.498
H7	-0.125	-0.449	1.541
C8	1.080	0.605	-0.002
H9	0.986	1.309	-0.840
H10	1.932	0.779	0.670

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5261	2.7079	2.9353	3.4476	1.4525	2.1375	1.4494	2.1577	2.1576
C2	2.5261		1.1026	1.1044	1.1060	1.5256	2.2386	2.6342	2.8519	3.5898
H3	2.7079	1.1026		1.7893	1.7951	2.1735	3.1337	2.7490	2.5551	3.8222
H4	2.9353	1.1044	1.7893		1.7900	2.1740	2.6041	3.4738	3.8032	4.3979
H5	3.4476	1.1060	1.7951	1.7900		2.1756	2.5966	3.1997	3.3524	4.0139
C6	1.4525	1.5256	2.1735	2.1740	2.1756		1.0990	1.4897	2.2433	2.2514
H7	2.1375	2.2386	3.1337	2.6041	2.5966	1.0990		2.2226	3.1610	2.5486
C8	1.4494	2.6342	2.7490	3.4738	3.1997	1.4897	2.2226		1.0987	1.0990
H9	2.1577	2.8519	2.5551	3.8032	3.3524	2.2433	3.1610	1.0987		1.8588
H10	2.1576	3.5898	3.8222	4.3979	4.0139	2.2514	2.5486	1.0990	1.8588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.023	O1	C6	H7	113.077
O1	C6	C8	59.010	O1	C8	C6	59.214
O1	C8	H9	115.037	O1	C8	H10	115.002
C2	C6	H7	116.124	C2	C6	C8	121.756
H3	C2	H4	108.334	H3	C2	H5	108.734
H3	C2	C6	110.554	H4	C2	H5	108.147
H4	C2	C6	110.484	H5	C2	C6	110.514
C6	O1	C8	61.777	C6	C8	H9	119.377
C6	C8	H10	120.084	H7	C6	C8	117.517
H9	C8	H10	115.508

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

using model chemistry: B3LYP/CEP-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	-0.248
2	C	-0.457
3	H	0.177
4	H	0.162
5	H	0.139
6	C	-0.021
7	H	0.228
8	C	-0.349
9	H	0.193
10	H	0.176

	x	y	z	Total
	-0.913	1.735	0.965	2.185
CHELPG
AIM
ESP

	x	y	z
x	5.972	0.481	-0.179
y	0.481	4.577	-0.209
z	-0.179	-0.209	4.433

<r²>	65.024
(<r²>)^1/2	8.064

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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