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	hartrees
Energy at 0K	-193.038806
Energy at 298.15K	-193.045714
Nuclear repulsion energy	124.745357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3053	38.57
2	A	3151	3015	29.06
3	A	3132	2997	21.14
4	A	3118	2983	18.22
5	A	3106	2972	28.92
6	A	3060	2928	18.25
7	A	1562	1494	6.69
8	A	1523	1457	5.82
9	A	1509	1443	4.51
10	A	1466	1403	21.56
11	A	1424	1362	3.94
12	A	1312	1255	4.33
13	A	1199	1147	1.94
14	A	1175	1125	4.91
15	A	1160	1110	1.41
16	A	1140	1091	7.52
17	A	1049	1003	10.51
18	A	1001	958	14.46
19	A	915	875	3.07
20	A	876	838	34.60
21	A	801	766	6.19
22	A	410	392	4.59
23	A	366	350	3.51
24	A	217	208	0.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.825	-0.784	-0.246
C2	-1.507	0.102	-0.147
H3	-1.412	0.341	-1.211
H4	-2.078	-0.830	-0.057
H5	-2.081	0.898	0.341
C6	-0.151	-0.043	0.487
H7	-0.155	-0.266	1.557
C8	1.043	0.612	-0.057
H9	0.954	1.225	-0.956
H10	1.872	0.874	0.601

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4963	2.6834	2.9088	3.4082	1.4280	2.1163	1.4259	2.1349	2.1364
C2	2.4963		1.0947	1.0960	1.0965	1.5039	2.2069	2.6021	2.8243	3.5466
H3	2.6834	1.0947		1.7737	1.7800	2.1498	3.1009	2.7263	2.5396	3.7894
H4	2.9088	1.0960	1.7737		1.7735	2.1508	2.5732	3.4375	3.7717	4.3518
H5	3.4082	1.0965	1.7800	1.7735		2.1515	2.5582	3.1615	3.3169	3.9617
C6	1.4280	1.5039	2.1498	2.1508	2.1515		1.0933	1.4666	2.2164	2.2245
H7	2.1163	2.2069	3.1009	2.5732	2.5582	1.0933		2.1934	3.1256	2.5141
C8	1.4259	2.6021	2.7263	3.4375	3.1615	1.4666	2.1934		1.0914	1.0911
H9	2.1349	2.8243	2.5396	3.7717	3.3169	2.2164	3.1256	1.0914		1.8415
H10	2.1364	3.5466	3.7894	4.3518	3.9617	2.2245	2.5141	1.0911	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.711	O1	C6	H7	113.485
O1	C6	C8	59.005	O1	C8	C6	59.149
O1	C8	H9	115.367	O1	C8	H10	115.521
C2	C6	H7	115.461	C2	C6	C8	122.321
H3	C2	H4	108.122	H3	C2	H5	108.647
H3	C2	C6	110.655	H4	C2	H5	107.975
H4	C2	C6	110.659	H5	C2	C6	110.691
C6	O1	C8	61.847	C6	C8	H9	119.382
C6	C8	H10	120.148	H7	C6	C8	117.176
H9	C8	H10	115.084

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	O	-0.437	-0.275
2	C	-0.532	-0.364
3	H	0.182	0.123
4	H	0.185	0.130
5	H	0.173	0.094
6	C	0.075	0.123
7	H	0.167	0.087
8	C	-0.152	-0.177
9	H	0.169	0.142
10	H	0.171	0.118

	x	y	z	Total
	-0.847	1.640	0.676	1.965
CHELPG
AIM
ESP	-0.856	1.623	0.660	1.950

	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>	74.640
(<r²>)^1/2	8.639

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

using model chemistry: B3PW91/6-31G*

States and conformations

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