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	hartrees
Energy at 0K	-192.431164
Energy at 298.15K	-192.438194
HF Energy	-191.909140
Nuclear repulsion energy	125.273717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3308	3063	31.37
2	A	3246	3005	36.92
3	A	3229	2990	18.43
4	A	3228	2989	10.70
5	A	3219	2980	22.33
6	A	3153	2919	16.04
7	A	1633	1512	6.98
8	A	1586	1469	5.57
9	A	1573	1456	3.82
10	A	1540	1426	17.69
11	A	1492	1382	4.17
12	A	1367	1266	4.26
13	A	1264	1170	3.97
14	A	1236	1144	3.34
15	A	1228	1137	1.39
16	A	1195	1106	7.94
17	A	1101	1019	8.87
18	A	1046	969	15.78
19	A	959	888	2.48
20	A	921	853	39.28
21	A	836	774	5.86
22	A	428	396	5.08
23	A	384	355	4.49
24	A	217	201	0.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.817	-0.783	-0.245
C2	-1.502	0.102	-0.147
H3	-1.399	0.332	-1.207
H4	-2.065	-0.826	-0.052
H5	-2.072	0.898	0.333
C6	-0.149	-0.039	0.488
H7	-0.150	-0.263	1.551
C8	1.039	0.610	-0.058
H9	0.952	1.216	-0.953
H10	1.868	0.865	0.591

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4837	2.6606	2.8891	3.3916	1.4220	2.1045	1.4228	2.1243	2.1254
C2	2.4837		1.0889	1.0899	1.0906	1.5013	2.2005	2.5924	2.8124	3.5334
H3	2.6606	1.0889		1.7658	1.7728	2.1383	3.0847	2.7090	2.5240	3.7669
H4	2.8891	1.0899	1.7658		1.7670	2.1410	2.5599	3.4203	3.7527	4.3297
H5	3.3916	1.0906	1.7728	1.7670		2.1448	2.5539	3.1479	3.3008	3.9485
C6	1.4220	1.5013	2.1383	2.1410	2.1448		1.0861	1.4596	2.2051	2.2129
H7	2.1045	2.2005	3.0847	2.5599	2.5539	1.0861		2.1830	3.1098	2.5039
C8	1.4228	2.5924	2.7090	3.4203	3.1479	1.4596	2.1830		1.0840	1.0835
H9	2.1243	2.8124	2.5240	3.7527	3.3008	2.2051	3.1098	1.0840		1.8294
H10	2.1254	3.5334	3.7669	4.3297	3.9485	2.2129	2.5039	1.0835	1.8294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.314	O1	C6	H7	113.417
O1	C6	C8	59.160	O1	C8	C6	59.103
O1	C8	H9	115.200	O1	C8	H10	115.325
C2	C6	H7	115.591	C2	C6	C8	122.215
H3	C2	H4	108.278	H3	C2	H5	108.853
H3	C2	C6	110.265	H4	C2	H5	108.262
H4	C2	C6	110.430	H5	C2	C6	110.685
C6	O1	C8	61.737	C6	C8	H9	119.482
C6	C8	H10	120.230	H7	C6	C8	117.329
H9	C8	H10	115.138

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

using model chemistry: CISD/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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All results from a given calculation for C3H6O (Propylene oxide)

using model chemistry: CISD/6-31G*

States and conformations

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