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	hartrees
Energy at 0K	-193.097518
Energy at 298.15K	-193.104458
HF Energy	-193.097518
Nuclear repulsion energy	125.159114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3052	35.89
2	A	3144	3008	34.87
3	A	3127	2991	22.83
4	A	3119	2983	13.04
5	A	3101	2966	29.12
6	A	3052	2919	18.63
7	A	1547	1480	9.39
8	A	1502	1437	7.07
9	A	1487	1422	6.98
10	A	1453	1390	21.11
11	A	1407	1346	4.51
12	A	1307	1251	5.85
13	A	1196	1144	2.00
14	A	1175	1124	5.41
15	A	1160	1109	0.79
16	A	1140	1091	8.45
17	A	1049	1003	12.49
18	A	1003	959	15.38
19	A	916	876	2.68
20	A	874	836	40.44
21	A	804	769	6.10
22	A	420	401	4.96
23	A	370	354	3.84
24	A	208	199	0.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.820	-0.783	-0.248
C2	-1.503	0.102	-0.147
H3	-1.401	0.342	-1.208
H4	-2.066	-0.831	-0.060
H5	-2.076	0.895	0.341
C6	-0.150	-0.041	0.490
H7	-0.149	-0.273	1.554
C8	1.039	0.613	-0.057
H9	0.946	1.220	-0.954
H10	1.871	0.866	0.596

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4877	2.6688	2.8924	3.3981	1.4266	2.1084	1.4255	2.1276	2.1290
C2	2.4877		1.0921	1.0927	1.0935	1.5020	2.2066	2.5946	2.8105	3.5383
H3	2.6688	1.0921		1.7705	1.7773	2.1435	3.0945	2.7121	2.5191	3.7732
H4	2.8924	1.0927	1.7705		1.7718	2.1434	2.5674	3.4242	3.7519	4.3366
H5	3.3981	1.0935	1.7773	1.7718		2.1462	2.5591	3.1528	3.3035	3.9550
C6	1.4266	1.5020	2.1435	2.1434	2.1462		1.0891	1.4635	2.2089	2.2181
H7	2.1084	2.2066	3.0945	2.5674	2.5591	1.0891		2.1886	3.1177	2.5087
C8	1.4255	2.5946	2.7121	3.4242	3.1528	1.4635	2.1886		1.0879	1.0870
H9	2.1276	2.8105	2.5191	3.7519	3.3035	2.2089	3.1177	1.0879		1.8398
H10	2.1290	3.5383	3.7732	4.3366	3.9550	2.2181	2.5087	1.0870	1.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.283	O1	C6	H7	113.196
O1	C6	C8	59.092	O1	C8	C6	59.165
O1	C8	H9	115.004	O1	C8	H10	115.189
C2	C6	H7	115.857	C2	C6	C8	122.066
H3	C2	H4	108.262	H3	C2	H5	108.812
H3	C2	C6	110.443	H4	C2	H5	108.280
H4	C2	C6	110.396	H5	C2	C6	110.578
C6	O1	C8	61.744	C6	C8	H9	119.215
C6	C8	H10	120.116	H7	C6	C8	117.300
H9	C8	H10	115.548

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

using model chemistry: wB97X-D/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	-0.310
2	C	-0.287
3	H	0.119
4	H	0.128
5	H	0.119
6	C	-0.067
7	H	0.127
8	C	-0.068
9	H	0.118
10	H	0.120

	x	y	z	Total
	-0.828	1.669	0.716	1.996
CHELPG
AIM
ESP

	x	y	z
x	6.140	0.516	-0.135
y	0.516	4.763	-0.246
z	-0.135	-0.246	4.913

<r²>	74.392
(<r²>)^1/2	8.625

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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