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	hartrees
Energy at 0K	-193.073577
Energy at 298.15K	-193.080345
Nuclear repulsion energy	123.344751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3069	3061	54.72
2	A	3031	3023	44.29
3	A	3006	2999	31.73
4	A	3000	2993	18.65
5	A	2989	2981	39.81
6	A	2954	2947	26.03
7	A	1496	1492	3.10
8	A	1478	1475	6.24
9	A	1465	1461	5.45
10	A	1401	1397	21.09
11	A	1381	1377	5.62
12	A	1253	1250	5.04
13	A	1153	1150	0.28
14	A	1125	1122	4.40
15	A	1104	1101	0.85
16	A	1096	1093	6.18
17	A	1010	1007	6.61
18	A	933	931	13.07
19	A	878	876	3.97
20	A	800	798	39.18
21	A	721	719	10.36
22	A	400	399	3.97
23	A	353	352	3.96
24	A	204	204	0.55

Atom	x (Å)	y (Å)	z (Å)
O1	0.839	-0.803	-0.235
C2	-1.522	0.096	-0.151
H3	-1.433	0.314	-1.224
H4	-2.089	-0.841	-0.041
H5	-2.108	0.901	0.321
C6	-0.155	-0.026	0.492
H7	-0.156	-0.235	1.570
C8	1.049	0.624	-0.067
H9	0.964	1.218	-0.984
H10	1.881	0.900	0.592

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5282	2.7179	2.9346	3.4495	1.4564	2.1381	1.4526	2.1590	2.1606
C2	2.5282		1.0991	1.1007	1.1017	1.5154	2.2218	2.6268	2.8520	3.5746
H3	2.7179	1.0991		1.7790	1.7859	2.1663	3.1206	2.7563	2.5727	3.8237
H4	2.9346	1.1007	1.7790		1.7796	2.1648	2.5879	3.4638	3.8012	4.3806
H5	3.4495	1.1017	1.7859	1.7796		2.1684	2.5806	3.1934	3.3528	3.9981
C6	1.4564	1.5154	2.1663	2.1648	2.1684		1.0980	1.4790	2.2316	2.2391
H7	2.1381	2.2218	3.1206	2.5879	2.5806	1.0980		2.2072	3.1448	2.5287
C8	1.4526	2.6268	2.7563	3.4638	3.1934	1.4790	2.2072		1.0960	1.0958
H9	2.1590	2.8520	2.5727	3.8012	3.3528	2.2316	3.1448	1.0960		1.8508
H10	2.1606	3.5746	3.8237	4.3806	3.9981	2.2391	2.5287	1.0958	1.8508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.568	O1	C6	H7	112.910
O1	C6	C8	59.313	O1	C8	C6	59.568
O1	C8	H9	115.088	O1	C8	H10	115.242
C2	C6	H7	115.534	C2	C6	C8	122.617
H3	C2	H4	107.937	H3	C2	H5	108.484
H3	C2	C6	110.903	H4	C2	H5	107.803
H4	C2	C6	110.682	H5	C2	C6	110.915
C6	O1	C8	61.119	C6	C8	H9	119.400
C6	C8	H10	120.100	H7	C6	C8	117.083
H9	C8	H10	115.227

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

using model chemistry: BLYP/6-311G*

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	-0.286
2	C	-0.594
3	H	0.203
4	H	0.208
5	H	0.196
6	C	-0.039
7	H	0.191
8	C	-0.262
9	H	0.191
10	H	0.193

	x	y	z	Total
	-0.808	1.625	0.648	1.927
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>	76.406
(<r²>)^1/2	8.741

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

using model chemistry: BLYP/6-311G*

States and conformations

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