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	hartrees
Energy at 0K	-191.223738
Energy at 298.15K	-191.230554
HF Energy	-190.824091
Nuclear repulsion energy	121.676745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3106	22.83
2	A	3198	3042	20.59
3	A	3169	3014	16.92
4	A	3165	3011	0.71
5	A	3160	3006	15.45
6	A	3089	2938	11.11
7	A	1601	1523	7.69
8	A	1595	1518	0.35
9	A	1586	1509	3.81
10	A	1495	1422	8.08
11	A	1453	1382	7.81
12	A	1259	1197	1.26
13	A	1222	1163	1.70
14	A	1184	1126	2.17
15	A	1155	1099	10.27
16	A	1126	1071	4.26
17	A	1037	987	2.52
18	A	977	929	4.97
19	A	906	862	0.62
20	A	797	758	14.28
21	A	720	685	1.98
22	A	407	388	1.16
23	A	347	330	8.02
24	A	199	189	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	-0.868	0.850	-0.207
C2	1.515	-0.074	-0.164
H3	1.363	-0.155	-1.245
H4	2.101	0.829	0.037
H5	2.077	-0.946	0.187
C6	0.166	-0.001	0.519
H7	0.167	0.137	1.597
C8	-1.020	-0.666	-0.094
H9	-0.888	-1.210	-1.024
H10	-1.835	-0.999	0.540

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5563	2.6577	2.9789	3.4723	1.5234	2.1991	1.5279	2.2158	2.2162
C2	2.5563		1.0945	1.0946	1.0955	1.5140	2.2272	2.6047	2.7940	3.5463
H3	2.6577	1.0945		1.7759	1.7853	2.1374	3.0966	2.6958	2.4961	3.7588
H4	2.9789	1.0946	1.7759		1.7813	2.1598	2.5785	3.4631	3.7703	4.3687
H5	3.4723	1.0955	1.7853	1.7813		2.1580	2.6090	3.1231	3.2144	3.9290
C6	1.5234	1.5140	2.1374	2.1598	2.1580		1.0865	1.4918	2.2258	2.2363
H7	2.1991	2.2272	3.0966	2.5785	2.6090	1.0865		2.2170	3.1303	2.5335
C8	1.5279	2.6047	2.6958	3.4631	3.1231	1.4918	2.2170		1.0855	1.0848
H9	2.2158	2.7940	2.4961	3.7703	3.2144	2.2258	3.1303	1.0855		1.8408
H10	2.2162	3.5463	3.7588	4.3687	3.9290	2.2363	2.5335	1.0848	1.8408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	114.618	O1	C6	H7	113.777
O1	C6	C8	60.881	O1	C8	C6	60.580
O1	C8	H9	114.907	O1	C8	H10	114.991
C2	C6	H7	116.886	C2	C6	C8	120.113
H3	C2	H4	108.444	H3	C2	H5	109.219
H3	C2	C6	108.987	H4	C2	H5	108.847
H4	C2	C6	110.748	H5	C2	C6	110.555
C6	O1	C8	58.539	C6	C8	H9	118.600
C6	C8	H10	119.598	H7	C6	C8	117.744
H9	C8	H10	116.027

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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