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	hartrees
Energy at 0K	-192.873403
Energy at 298.15K	-192.880213
Nuclear repulsion energy	123.862822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3096	3054	41.30
2	A	3079	3037	19.63
3	A	3060	3018	18.07
4	A	3025	2983	23.78
5	A	3012	2970	30.44
6	A	2985	2944	17.35
7	A	1500	1479	6.42
8	A	1463	1443	5.02
9	A	1448	1428	4.19
10	A	1406	1387	21.72
11	A	1363	1345	3.53
12	A	1265	1248	3.23
13	A	1150	1134	1.39
14	A	1128	1112	4.17
15	A	1109	1094	1.97
16	A	1094	1079	6.16
17	A	1006	993	10.32
18	A	960	947	12.82
19	A	878	866	3.52
20	A	839	828	30.05
21	A	767	757	7.25
22	A	398	393	4.17
23	A	354	349	3.26
24	A	214	211	0.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.832	-0.794	-0.243
C2	-1.513	0.100	-0.150
H3	-1.415	0.335	-1.221
H4	-2.087	-0.837	-0.056
H5	-2.095	0.902	0.335
C6	-0.154	-0.038	0.491
H7	-0.159	-0.251	1.573
C8	1.046	0.619	-0.062
H9	0.952	1.232	-0.969
H10	1.879	0.893	0.601

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5118	2.6979	2.9255	3.4318	1.4433	2.1385	1.4402	2.1557	2.1578
C2	2.5118		1.1012	1.1025	1.1032	1.5091	2.2189	2.6130	2.8337	3.5638
H3	2.6979	1.1012		1.7844	1.7904	2.1586	3.1182	2.7348	2.5429	3.8050
H4	2.9255	1.1025	1.7844		1.7826	2.1616	2.5908	3.4548	3.7881	4.3766
H5	3.4318	1.1032	1.7904	1.7826		2.1620	2.5705	3.1784	3.3302	3.9823
C6	1.4433	1.5091	2.1586	2.1616	2.1620		1.1018	1.4760	2.2296	2.2392
H7	2.1385	2.2189	3.1182	2.5908	2.5705	1.1018		2.2087	3.1453	2.5308
C8	1.4402	2.6130	2.7348	3.4548	3.1784	1.4760	2.2087		1.0997	1.0992
H9	2.1557	2.8337	2.5429	3.7881	3.3302	2.2296	3.1453	1.0997		1.8550
H10	2.1578	3.5638	3.8050	4.3766	3.9823	2.2392	2.5308	1.0992	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.569	O1	C6	H7	113.657
O1	C6	C8	59.108	O1	C8	C6	59.316
O1	C8	H9	115.499	O1	C8	H10	115.709
C2	C6	H7	115.515	C2	C6	C8	122.175
H3	C2	H4	108.139	H3	C2	H5	108.629
H3	C2	C6	110.609	H4	C2	H5	107.840
H4	C2	C6	110.768	H5	C2	C6	110.758
C6	O1	C8	61.575	C6	C8	H9	119.190
C6	C8	H10	120.097	H7	C6	C8	117.185
H9	C8	H10	115.047

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.410
2	C	-0.376
3	H	0.131
4	H	0.137
5	H	0.127
6	C	0.096
7	H	0.113
8	C	-0.052
9	H	0.117
10	H	0.118

	x	y	z	Total
	-0.836	1.524	0.605	1.841
CHELPG
AIM
ESP

	x	y	z
x	6.086	0.542	-0.104
y	0.542	4.621	-0.275
z	-0.104	-0.275	4.846

<r²>	75.441
(<r²>)^1/2	8.686

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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