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	hartrees
Energy at 0K	-193.096112
Energy at 298.15K	-193.103089
HF Energy	-193.096112
Nuclear repulsion energy	125.449869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3055	20.98
2	A	3151	3010	29.80
3	A	3135	2994	5.29
4	A	3127	2987	9.87
5	A	3105	2966	19.32
6	A	3056	2919	11.87
7	A	1544	1475	9.85
8	A	1503	1435	6.25
9	A	1487	1420	5.22
10	A	1457	1391	19.01
11	A	1403	1340	4.08
12	A	1312	1253	7.51
13	A	1197	1143	2.41
14	A	1179	1126	4.59
15	A	1166	1114	0.29
16	A	1141	1090	6.91
17	A	1053	1005	13.95
18	A	1017	972	12.28
19	A	913	872	2.13
20	A	893	853	35.65
21	A	816	779	6.32
22	A	414	395	5.16
23	A	368	352	3.13
24	A	227	216	0.47

Atom	x (Å)	y (Å)	z (Å)
O1	0.816	-0.779	-0.250
C2	-1.499	0.103	-0.147
H3	-1.392	0.349	-1.203
H4	-2.062	-0.826	-0.065
H5	-2.067	0.893	0.344
C6	-0.152	-0.044	0.489
H7	-0.150	-0.280	1.549
C8	1.039	0.611	-0.054
H9	0.944	1.220	-0.946
H10	1.870	0.857	0.596

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4793	2.6565	2.8848	3.3855	1.4218	2.1018	1.4212	2.1210	2.1215
C2	2.4793		1.0892	1.0899	1.0902	1.4973	2.2008	2.5893	2.8024	3.5308
H3	2.6565	1.0892		1.7680	1.7734	2.1349	3.0842	2.7014	2.5068	3.7596
H4	2.8848	1.0899	1.7680		1.7670	2.1375	2.5611	3.4177	3.7421	4.3276
H5	3.3855	1.0902	1.7734	1.7670		2.1379	2.5503	3.1438	3.2923	3.9451
C6	1.4218	1.4973	2.1349	2.1375	2.1379		1.0856	1.4632	2.2045	2.2154
H7	2.1018	2.2008	3.0842	2.5611	2.5503	1.0856		2.1852	3.1100	2.5054
C8	1.4212	2.5893	2.7014	3.4177	3.1438	1.4632	2.1852		1.0844	1.0835
H9	2.1210	2.8024	2.5068	3.7421	3.2923	2.2045	3.1100	1.0844		1.8351
H10	2.1215	3.5308	3.7596	4.3276	3.9451	2.2154	2.5054	1.0835	1.8351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.253	O1	C6	H7	113.231
O1	C6	C8	59.004	O1	C8	C6	59.047
O1	C8	H9	115.008	O1	C8	H10	115.113
C2	C6	H7	115.955	C2	C6	C8	121.994
H3	C2	H4	108.450	H3	C2	H5	108.924
H3	C2	C6	110.255	H4	C2	H5	108.295
H4	C2	C6	110.423	H5	C2	C6	110.436
C6	O1	C8	61.949	C6	C8	H9	119.098
C6	C8	H10	120.169	H7	C6	C8	117.276
H9	C8	H10	115.667

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	O	-0.295
2	C	-0.321
3	H	0.109
4	H	0.117
5	H	0.103
6	C	0.063
7	H	0.119
8	C	-0.093
9	H	0.099
10	H	0.099

	x	y	z	Total
	-0.819	1.622	0.711	1.951
CHELPG
AIM
ESP

	x	y	z
x	6.403	0.446	-0.126
y	0.446	5.074	-0.198
z	-0.126	-0.198	5.141

<r²>	74.182
(<r²>)^1/2	8.613

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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