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	hartrees
Energy at 0K	-191.230531
Energy at 298.15K	-191.237357
HF Energy	-190.824147
Nuclear repulsion energy	121.700696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	3118	22.74
2	A	3199	3054	20.49
3	A	3169	3026	16.72
4	A	3166	3023	0.78
5	A	3161	3018	15.39
6	A	3089	2949	11.06
7	A	1601	1528	7.72
8	A	1595	1523	0.33
9	A	1586	1515	3.85
10	A	1495	1427	8.13
11	A	1453	1388	7.79
12	A	1259	1202	1.26
13	A	1222	1167	1.71
14	A	1184	1131	2.20
15	A	1155	1103	10.26
16	A	1126	1075	4.27
17	A	1037	991	2.53
18	A	977	933	4.98
19	A	907	866	0.62
20	A	797	761	14.26
21	A	721	688	1.97
22	A	407	389	1.16
23	A	347	332	8.03
24	A	199	190	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	-0.868	0.849	-0.207
C2	1.515	-0.074	-0.164
H3	1.363	-0.155	-1.245
H4	2.100	0.828	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		2.5557	2.6570	2.9784	3.4716	1.5230	2.1987	1.5276	2.2155	2.2159
C2	2.5557		1.0943	1.0944	1.0954	1.5137	2.2269	2.6041	2.7933	3.5456
H3	2.6570	1.0943		1.7756	1.7850	2.1370	3.0962	2.6952	2.4955	3.7581
H4	2.9784	1.0944	1.7756		1.7810	2.1595	2.5782	3.4625	3.7697	4.3681
H5	3.4716	1.0954	1.7850	1.7810		2.1577	2.6088	3.1224	3.2135	3.9283
C6	1.5230	1.5137	2.1370	2.1595	2.1577		1.0864	1.4916	2.2255	2.2360
H7	2.1987	2.2269	3.0962	2.5782	2.6088	1.0864		2.2167	3.1298	2.5332
C8	1.5276	2.6041	2.6952	3.4625	3.1224	1.4916	2.2167		1.0854	1.0846
H9	2.2155	2.7933	2.4955	3.7697	3.2135	2.2255	3.1298	1.0854		1.8405
H10	2.2159	3.5456	3.7581	4.3681	3.9283	2.2360	2.5332	1.0846	1.8405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	114.613	O1	C6	H7	113.786
O1	C6	C8	60.880	O1	C8	C6	60.578
O1	C8	H9	114.911	O1	C8	H10	114.995
C2	C6	H7	116.889	C2	C6	C8	120.104
H3	C2	H4	108.439	H3	C2	H5	109.213
H3	C2	C6	108.990	H4	C2	H5	108.842
H4	C2	C6	110.755	H5	C2	C6	110.561
C6	O1	C8	58.542	C6	C8	H9	118.600
C6	C8	H10	119.601	H7	C6	C8	117.747
H9	C8	H10	116.021

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

using model chemistry: MP2=FULL/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=FULL/3-21G

States and conformations

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