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	hartrees
Energy at 0K	-192.666563
Energy at 298.15K	-192.673520
HF Energy	-191.931455
Nuclear repulsion energy	125.272001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3076	17.15
2	A	3225	3032	13.47
3	A	3208	3015	9.92
4	A	3189	2997	14.09
5	A	3172	2981	16.80
6	A	3117	2929	9.80
7	A	1560	1467	4.89
8	A	1537	1445	5.92
9	A	1523	1431	3.81
10	A	1474	1386	17.97
11	A	1425	1339	3.72
12	A	1320	1240	3.27
13	A	1207	1134	0.67
14	A	1188	1117	3.75
15	A	1168	1098	0.25
16	A	1150	1081	6.56
17	A	1063	1000	9.59
18	A	1003	942	10.44
19	A	924	868	1.96
20	A	888	834	31.07
21	A	804	756	5.15
22	A	411	386	3.71
23	A	372	350	3.83
24	A	219	205	0.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.820	-0.788	-0.241
C2	-1.495	0.098	-0.149
H3	-1.389	0.327	-1.207
H4	-2.056	-0.830	-0.052
H5	-2.066	0.894	0.329
C6	-0.151	-0.036	0.490
H7	-0.149	-0.250	1.555
C8	1.032	0.615	-0.062
H9	0.933	1.213	-0.961
H10	1.857	0.880	0.588

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4804	2.6569	2.8826	3.3882	1.4292	2.1098	1.4304	2.1298	2.1316
C2	2.4804		1.0879	1.0889	1.0894	1.4939	2.1990	2.5805	2.7923	3.5202
H3	2.6569	1.0879		1.7655	1.7716	2.1321	3.0823	2.6939	2.4981	3.7511
H4	2.8826	1.0889	1.7655		1.7649	2.1337	2.5603	3.4094	3.7330	4.3183
H5	3.3882	1.0894	1.7716	1.7649		2.1344	2.5467	3.1347	3.2801	3.9319
C6	1.4292	1.4939	2.1321	2.1337	2.1344		1.0861	1.4589	2.2001	2.2097
H7	2.1098	2.1990	3.0823	2.5603	2.5467	1.0861		2.1811	3.1048	2.4975
C8	1.4304	2.5805	2.6939	3.4094	3.1347	1.4589	2.1811		1.0839	1.0835
H9	2.1298	2.7923	2.4981	3.7330	3.2801	2.2001	3.1048	1.0839		1.8341
H10	2.1316	3.5202	3.7511	4.3183	3.9319	2.2097	2.4975	1.0835	1.8341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.092	O1	C6	H7	113.320
O1	C6	C8	59.362	O1	C8	C6	59.286
O1	C8	H9	115.095	O1	C8	H10	115.287
C2	C6	H7	116.035	C2	C6	C8	121.833
H3	C2	H4	108.401	H3	C2	H5	108.910
H3	C2	C6	110.352	H4	C2	H5	108.238
H4	C2	C6	110.426	H5	C2	C6	110.452
C6	O1	C8	61.351	C6	C8	H9	119.083
C6	C8	H10	119.994	H7	C6	C8	117.215
H9	C8	H10	115.602

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

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

States and conformations

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