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	hartrees
Energy at 0K	-192.125745
Energy at 298.15K	-192.132594
Nuclear repulsion energy	125.447608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3082	3053	33.40
2	A	3057	3027	19.38
3	A	3045	3016	12.94
4	A	3012	2983	20.38
5	A	2994	2965	28.17
6	A	2968	2940	13.06
7	A	1497	1482	13.63
8	A	1443	1429	10.26
9	A	1426	1412	10.40
10	A	1404	1390	20.91
11	A	1348	1335	11.61
12	A	1270	1258	5.07
13	A	1154	1143	1.80
14	A	1132	1121	3.27
15	A	1105	1095	7.60
16	A	1088	1078	4.35
17	A	1010	1000	18.87
18	A	979	970	10.39
19	A	878	869	6.79
20	A	857	849	32.63
21	A	793	786	7.78
22	A	402	398	4.99
23	A	360	357	3.55
24	A	218	216	0.55

Atom	x (Å)	y (Å)	z (Å)
O1	0.814	-0.776	-0.255
C2	-1.486	0.104	-0.144
H3	-1.375	0.356	-1.211
H4	-2.067	-0.831	-0.077
H5	-2.071	0.901	0.343
C6	-0.153	-0.052	0.489
H7	-0.148	-0.290	1.564
C8	1.032	0.609	-0.052
H9	0.921	1.240	-0.946
H10	1.870	0.866	0.610

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4654	2.6435	2.8872	3.3908	1.4190	2.1153	1.4159	2.1331	2.1352
C2	2.4654		1.1018	1.1021	1.1024	1.4841	2.2050	2.5695	2.7798	3.5229
H3	2.6435	1.1018		1.7807	1.7879	2.1330	3.1021	2.6833	2.4747	3.7557
H4	2.8872	1.1021	1.7807		1.7818	2.1427	2.5820	3.4164	3.7373	4.3413
H5	3.3908	1.1024	1.7879	1.7818		2.1471	2.5702	3.1417	3.2757	3.9501
C6	1.4190	1.4841	2.1330	2.1427	2.1471		1.1015	1.4597	2.2086	2.2241
H7	2.1153	2.2050	3.1021	2.5820	2.5702	1.1015		2.1936	3.1278	2.5138
C8	1.4159	2.5695	2.6833	3.4164	3.1417	1.4597	2.1936		1.0997	1.0986
H9	2.1331	2.7798	2.4747	3.7373	3.2757	2.2086	3.1278	1.0997		1.8601
H10	2.1352	3.5229	3.7557	4.3413	3.9501	2.2241	2.5138	1.0986	1.8601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.237	O1	C6	H7	113.523
O1	C6	C8	58.906	O1	C8	C6	59.112
O1	C8	H9	115.402	O1	C8	H10	115.660
C2	C6	H7	116.253	C2	C6	C8	121.577
H3	C2	H4	107.800	H3	C2	H5	108.411
H3	C2	C6	110.268	H4	C2	H5	107.850
H4	C2	C6	111.029	H5	C2	C6	111.358
C6	O1	C8	61.982	C6	C8	H9	118.618
C6	C8	H10	120.107	H7	C6	C8	117.157
H9	C8	H10	115.586

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

using model chemistry: SVWN/6-311G*

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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Number	Element	Mulliken
1	O	-0.242
2	C	-0.720
3	H	0.246
4	H	0.255
5	H	0.244
6	C	-0.129
7	H	0.235
8	C	-0.353
9	H	0.231
10	H	0.234

	x	y	z	Total
	-0.809	1.554	0.679	1.879
CHELPG
AIM
ESP

	x	y	z
x	6.382	0.537	-0.085
y	0.537	4.857	-0.274
z	-0.085	-0.274	5.095

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-311G*

States and conformations

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