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	hartrees
Energy at 0K	-192.817826
Energy at 298.15K	-192.824782
HF Energy	-191.983952
Nuclear repulsion energy	125.376576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3083	14.88
2	A	3175	3021	24.72
3	A	3159	3006	15.29
4	A	3158	3004	3.65
5	A	3150	2997	18.41
6	A	3080	2930	13.03
7	A	1552	1477	5.88
8	A	1527	1453	7.24
9	A	1511	1438	5.18
10	A	1466	1395	18.40
11	A	1418	1349	3.54
12	A	1307	1243	4.00
13	A	1204	1145	0.83
14	A	1182	1125	3.71
15	A	1160	1103	0.66
16	A	1138	1083	6.25
17	A	1055	1004	8.04
18	A	987	939	11.52
19	A	918	873	2.83
20	A	869	827	42.67
21	A	783	745	6.42
22	A	411	391	4.27
23	A	374	356	3.88
24	A	222	212	0.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.822	-0.790	-0.236
C2	-1.492	0.095	-0.150
H3	-1.382	0.318	-1.208
H4	-2.049	-0.833	-0.047
H5	-2.061	0.892	0.323
C6	-0.153	-0.032	0.489
H7	-0.150	-0.239	1.551
C8	1.026	0.618	-0.064
H9	0.924	1.207	-0.964
H10	1.850	0.883	0.582

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4787	2.6516	2.8772	3.3846	1.4319	2.1073	1.4326	2.1276	2.1275
C2	2.4787		1.0866	1.0874	1.0879	1.4887	2.1921	2.5730	2.7808	3.5108
H3	2.6516	1.0866		1.7652	1.7701	2.1242	3.0725	2.6832	2.4835	3.7380
H4	2.8772	1.0874	1.7652		1.7648	2.1268	2.5518	3.4000	3.7198	4.3062
H5	3.3846	1.0879	1.7701	1.7648		2.1269	2.5383	3.1237	3.2657	3.9201
C6	1.4319	1.4887	2.1242	2.1268	2.1269		1.0823	1.4551	2.1916	2.2042
H7	2.1073	2.1921	3.0725	2.5518	2.5383	1.0823		2.1737	3.0932	2.4899
C8	1.4326	2.5730	2.6832	3.4000	3.1237	1.4551	2.1737		1.0806	1.0802
H9	2.1276	2.7808	2.4835	3.7198	3.2657	2.1916	3.0932	1.0806		1.8310
H10	2.1275	3.5108	3.7380	4.3062	3.9201	2.2042	2.4899	1.0802	1.8310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.121	O1	C6	H7	113.161
O1	C6	C8	59.494	O1	C8	C6	59.449
O1	C8	H9	114.965	O1	C8	H10	114.981
C2	C6	H7	116.096	C2	C6	C8	121.855
H3	C2	H4	108.580	H3	C2	H5	108.983
H3	C2	C6	110.161	H4	C2	H5	108.445
H4	C2	C6	110.323	H5	C2	C6	110.301
C6	O1	C8	61.057	C6	C8	H9	118.867
C6	C8	H10	120.057	H7	C6	C8	117.131
H9	C8	H10	115.864

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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