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	hartrees
Energy at 0K	-191.985602
Energy at 298.15K	-191.992732
HF Energy	-191.985602
Nuclear repulsion energy	126.198854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3325	3008	33.47
2	A	3261	2950	45.04
3	A	3242	2933	42.61
4	A	3231	2923	4.08
5	A	3217	2910	32.40
6	A	3162	2860	23.52
7	A	1671	1511	9.42
8	A	1614	1460	5.36
9	A	1600	1447	4.98
10	A	1573	1423	17.08
11	A	1525	1379	3.32
12	A	1405	1271	8.57
13	A	1309	1184	5.18
14	A	1294	1171	2.40
15	A	1266	1146	6.26
16	A	1236	1118	9.41
17	A	1138	1030	9.48
18	A	1070	968	23.73
19	A	985	891	2.76
20	A	940	850	53.63
21	A	851	769	8.41
22	A	442	399	5.72
23	A	397	359	3.93
24	A	227	206	0.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.810	-0.767	-0.251
C2	-1.501	0.105	-0.144
H3	-1.415	0.354	-1.194
H4	-2.062	-0.818	-0.057
H5	-2.060	0.888	0.356
C6	-0.144	-0.047	0.480
H7	-0.147	-0.287	1.530
C8	1.041	0.601	-0.051
H9	0.964	1.211	-0.934
H10	1.866	0.836	0.597

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4727	2.6641	2.8788	3.3685	1.4011	2.0785	1.4018	2.0988	2.0988
C2	2.4727		1.0822	1.0838	1.0843	1.5015	2.1887	2.5914	2.8147	3.5245
H3	2.6641	1.0822		1.7563	1.7616	2.1396	3.0724	2.7201	2.5422	3.7694
H4	2.8788	1.0838	1.7563		1.7557	2.1357	2.5429	3.4116	3.7473	4.3119
H5	3.3685	1.0843	1.7616	1.7557		2.1358	2.5337	3.1406	3.3031	3.9341
C6	1.4011	1.5015	2.1396	2.1357	2.1358		1.0777	1.4506	2.1926	2.1985
H7	2.0785	2.1887	3.0724	2.5429	2.5337	1.0777		2.1680	3.0904	2.4871
C8	1.4018	2.5914	2.7201	3.4116	3.1406	1.4506	2.1680		1.0760	1.0755
H9	2.0988	2.8147	2.5422	3.7473	3.3031	2.1926	3.0904	1.0760		1.8163
H10	2.0988	3.5245	3.7694	4.3119	3.9341	2.1985	2.4871	1.0755	1.8163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.794	O1	C6	H7	113.325
O1	C6	C8	58.854	O1	C8	C6	58.808
O1	C8	H9	115.155	O1	C8	H10	115.187
C2	C6	H7	115.135	C2	C6	C8	122.749
H3	C2	H4	108.354	H3	C2	H5	108.802
H3	C2	C6	110.766	H4	C2	H5	108.155
H4	C2	C6	110.354	H5	C2	C6	110.337
C6	O1	C8	62.338	C6	C8	H9	119.672
C6	C8	H10	120.251	H7	C6	C8	117.306
H9	C8	H10	115.166

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

using model chemistry: HF/daug-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	-1.055
2	C	-0.998
3	H	0.402
4	H	0.377
5	H	0.531
6	C	-0.100
7	H	0.610
8	C	-1.072
9	H	0.667
10	H	0.637

	x	y	z	Total
	-0.854	1.779	0.771	2.118
CHELPG
AIM
ESP

	x	y	z
x	6.337	0.365	-0.130
y	0.365	5.218	-0.119
z	-0.130	-0.119	5.189

<r²>	73.866
(<r²>)^1/2	8.595

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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