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	hartrees
Energy at 0K	-193.126405
Energy at 298.15K	-193.133289
Nuclear repulsion energy	124.266030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3069	30.43
2	A	3128	3016	37.03
3	A	3106	2994	25.88
4	A	3105	2994	7.22
5	A	3095	2984	27.20
6	A	3039	2931	20.39
7	A	1536	1481	7.28
8	A	1502	1448	6.91
9	A	1487	1434	5.81
10	A	1444	1393	22.84
11	A	1408	1358	3.88
12	A	1294	1248	5.03
13	A	1187	1145	1.15
14	A	1163	1122	4.92
15	A	1155	1114	0.63
16	A	1128	1087	8.04
17	A	1039	1002	9.18
18	A	973	939	15.56
19	A	906	874	2.83
20	A	844	814	47.85
21	A	771	744	7.73
22	A	410	396	4.81
23	A	365	352	4.25
24	A	213	205	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.830	-0.792	-0.241
C2	-1.513	0.099	-0.149
H3	-1.421	0.329	-1.215
H4	-2.080	-0.833	-0.047
H5	-2.086	0.899	0.334
C6	-0.154	-0.035	0.488
H7	-0.155	-0.255	1.558
C8	1.045	0.619	-0.060
H9	0.960	1.216	-0.968
H10	1.876	0.879	0.595

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5084	2.6965	2.9164	3.4194	1.4391	2.1196	1.4380	2.1394	2.1409
C2	2.5084		1.0941	1.0954	1.0963	1.5075	2.2098	2.6121	2.8343	3.5562
H3	2.6965	1.0941		1.7742	1.7797	2.1538	3.1033	2.7386	2.5529	3.8010
H4	2.9164	1.0954	1.7742		1.7734	2.1523	2.5713	3.4456	3.7796	4.3574
H5	3.4194	1.0963	1.7797	1.7734		2.1519	2.5608	3.1683	3.3274	3.9702
C6	1.4391	1.5075	2.1538	2.1523	2.1519		1.0921	1.4713	2.2190	2.2280
H7	2.1196	2.2098	3.1033	2.5713	2.5608	1.0921		2.1958	3.1281	2.5171
C8	1.4380	2.6121	2.7386	3.4456	3.1683	1.4713	2.1958		1.0899	1.0895
H9	2.1394	2.8343	2.5529	3.7796	3.3274	2.2190	3.1281	1.0899		1.8427
H10	2.1409	3.5562	3.8010	4.3574	3.9702	2.2280	2.5171	1.0895	1.8427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.684	O1	C6	H7	113.016
O1	C6	C8	59.208	O1	C8	C6	59.281
O1	C8	H9	114.926	O1	C8	H10	115.086
C2	C6	H7	115.510	C2	C6	C8	122.538
H3	C2	H4	108.257	H3	C2	H5	108.683
H3	C2	C6	110.760	H4	C2	H5	108.025
H4	C2	C6	110.559	H5	C2	C6	110.473
C6	O1	C8	61.511	C6	C8	H9	119.334
C6	C8	H10	120.196	H7	C6	C8	117.105
H9	C8	H10	115.448

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

using model chemistry: B3LYP/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	ESP
1	O	-0.350	-0.316
2	C	-0.517	-0.298
3	H	0.154	0.108
4	H	0.160	0.118
5	H	0.151	0.074
6	C	0.117	0.111
7	H	0.133	0.091
8	C	-0.119	-0.137
9	H	0.135	0.136
10	H	0.137	0.114

	x	y	z	Total
	-0.932	1.837	0.733	2.187
CHELPG
AIM
ESP	-0.934	1.814	0.714	2.162

	x	y	z
x	6.513	0.404	-0.148
y	0.404	5.236	-0.127
z	-0.148	-0.127	5.279

<r²>	75.575
(<r²>)^1/2	8.693

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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