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	hartrees
Energy at 0K	-192.881385
Energy at 298.15K	-192.888190
Nuclear repulsion energy	124.033610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3086	3054	36.66
2	A	3068	3036	18.66
3	A	3049	3017	15.95
4	A	3013	2982	21.82
5	A	3001	2970	29.96
6	A	2975	2944	16.64
7	A	1484	1469	6.23
8	A	1449	1434	4.54
9	A	1433	1419	3.91
10	A	1393	1379	20.73
11	A	1350	1336	2.87
12	A	1262	1249	3.59
13	A	1144	1132	1.17
14	A	1125	1114	4.23
15	A	1109	1098	0.35
16	A	1092	1081	6.57
17	A	1006	996	10.25
18	A	957	947	11.55
19	A	875	866	3.53
20	A	840	831	27.85
21	A	766	759	6.48
22	A	393	389	3.66
23	A	353	349	2.72
24	A	212	210	0.36

Atom	x (Å)	y (Å)	z (Å)
O1	0.831	-0.791	-0.245
C2	-1.513	0.101	-0.149
H3	-1.416	0.337	-1.220
H4	-2.091	-0.834	-0.053
H5	-2.089	0.905	0.339
C6	-0.154	-0.042	0.489
H7	-0.158	-0.259	1.569
C8	1.046	0.617	-0.059
H9	0.951	1.233	-0.965
H10	1.878	0.888	0.605

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5096	2.6966	2.9286	3.4266	1.4385	2.1336	1.4361	2.1513	2.1534
C2	2.5096		1.1013	1.1027	1.1031	1.5083	2.2172	2.6117	2.8322	3.5617
H3	2.6966	1.1013		1.7856	1.7909	2.1585	3.1171	2.7360	2.5442	3.8057
H4	2.9286	1.1027	1.7856		1.7823	2.1617	2.5879	3.4557	3.7893	4.3758
H5	3.4266	1.1031	1.7909	1.7823		2.1595	2.5677	3.1726	3.3242	3.9753
C6	1.4385	1.5083	2.1585	2.1617	2.1595		1.1013	1.4743	2.2274	2.2373
H7	2.1336	2.2172	3.1171	2.5879	2.5677	1.1013		2.2060	3.1426	2.5276
C8	1.4361	2.6117	2.7360	3.4557	3.1726	1.4743	2.2060		1.0992	1.0988
H9	2.1513	2.8322	2.5442	3.7893	3.3242	2.2274	3.1426	1.0992		1.8550
H10	2.1534	3.5617	3.8057	4.3758	3.9753	2.2373	2.5276	1.0988	1.8550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.757	O1	C6	H7	113.633
O1	C6	C8	59.063	O1	C8	C6	59.226
O1	C8	H9	115.468	O1	C8	H10	115.681
C2	C6	H7	115.456	C2	C6	C8	122.235
H3	C2	H4	108.221	H3	C2	H5	108.659
H3	C2	C6	110.638	H4	C2	H5	107.799
H4	C2	C6	110.816	H5	C2	C6	110.613
C6	O1	C8	61.711	C6	C8	H9	119.164
C6	C8	H10	120.101	H7	C6	C8	117.118
H9	C8	H10	115.122

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.202
2	C	-0.442
3	H	0.137
4	H	0.140
5	H	0.133
6	C	0.094
7	H	0.097
8	C	-0.196
9	H	0.118
10	H	0.120

	x	y	z	Total
	-0.782	1.388	0.564	1.690
CHELPG
AIM
ESP

	x	y	z
x	6.277	0.505	-0.064
y	0.505	4.777	-0.264
z	-0.064	-0.264	4.999

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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