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	hartrees
Energy at 0K	-192.634653
Energy at 298.15K	-192.641584
HF Energy	-191.931099
Nuclear repulsion energy	124.944049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3263	3082	17.50
2	A	3214	3036	14.29
3	A	3197	3020	10.27
4	A	3180	3003	13.61
5	A	3162	2986	16.82
6	A	3106	2934	9.91
7	A	1552	1466	4.38
8	A	1526	1441	5.49
9	A	1511	1427	3.88
10	A	1465	1384	18.14
11	A	1418	1339	3.68
12	A	1312	1239	3.46
13	A	1200	1134	0.58
14	A	1181	1116	3.77
15	A	1168	1103	0.29
16	A	1143	1080	6.06
17	A	1057	998	9.74
18	A	993	938	10.46
19	A	916	865	1.86
20	A	880	831	30.95
21	A	797	753	5.10
22	A	406	384	3.71
23	A	369	348	3.81
24	A	215	204	0.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.822	-0.789	-0.242
C2	-1.500	0.099	-0.149
H3	-1.395	0.328	-1.210
H4	-2.064	-0.831	-0.053
H5	-2.073	0.896	0.330
C6	-0.151	-0.037	0.491
H7	-0.149	-0.252	1.558
C8	1.035	0.616	-0.062
H9	0.937	1.217	-0.961
H10	1.863	0.881	0.590

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4884	2.6648	2.8927	3.3979	1.4321	2.1144	1.4326	2.1336	2.1354
C2	2.4884		1.0902	1.0911	1.0916	1.4994	2.2049	2.5895	2.8021	3.5308
H3	2.6648	1.0902		1.7690	1.7751	2.1381	3.0896	2.7030	2.5079	3.7620
H4	2.8927	1.0911	1.7690		1.7681	2.1407	2.5677	3.4203	3.7448	4.3309
H5	3.3979	1.0916	1.7751	1.7681		2.1417	2.5542	3.1450	3.2909	3.9439
C6	1.4321	1.4994	2.1381	2.1407	2.1417		1.0881	1.4631	2.2059	2.2153
H7	2.1144	2.2049	3.0896	2.5677	2.5542	1.0881		2.1862	3.1117	2.5035
C8	1.4326	2.5895	2.7030	3.4203	3.1450	1.4631	2.1862		1.0859	1.0854
H9	2.1336	2.8021	2.5079	3.7448	3.2909	2.2059	3.1117	1.0859		1.8369
H10	2.1354	3.5308	3.7620	4.3309	3.9439	2.2153	2.5035	1.0854	1.8369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.158	O1	C6	H7	113.360
O1	C6	C8	59.304	O1	C8	C6	59.272
O1	C8	H9	115.118	O1	C8	H10	115.301
C2	C6	H7	115.990	C2	C6	C8	121.875
H3	C2	H4	108.388	H3	C2	H5	108.897
H3	C2	C6	110.319	H4	C2	H5	108.194
H4	C2	C6	110.465	H5	C2	C6	110.513
C6	O1	C8	61.424	C6	C8	H9	119.114
C6	C8	H10	120.014	H7	C6	C8	117.193
H9	C8	H10	115.553

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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