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	hartrees
Energy at 0K	-193.016888
Energy at 298.15K	-193.023829
HF Energy	-193.016888
Nuclear repulsion energy	125.143364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3054	29.01
2	A	3176	3008	34.04
3	A	3163	2996	12.73
4	A	3158	2991	7.21
5	A	3135	2968	19.30
6	A	3083	2920	12.45
7	A	1570	1487	8.93
8	A	1530	1448	5.64
9	A	1514	1434	3.89
10	A	1478	1399	19.05
11	A	1425	1349	4.27
12	A	1321	1251	6.35
13	A	1208	1144	3.77
14	A	1185	1122	3.93
15	A	1167	1105	1.69
16	A	1148	1087	6.63
17	A	1056	1000	12.10
18	A	1029	975	11.74
19	A	916	867	3.31
20	A	904	856	30.37
21	A	823	780	5.62
22	A	413	391	5.20
23	A	366	347	3.13
24	A	218	207	0.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.833	-0.763	-0.288
C2	-1.496	0.103	-0.143
H3	-1.355	0.174	-1.223
H4	-2.180	-0.721	0.073
H5	-1.939	1.033	0.221
C6	-0.145	-0.107	0.507
H7	-0.098	-0.346	1.568
C8	1.012	0.643	-0.038
H9	0.835	1.271	-0.906
H10	1.845	0.858	0.622

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4892	2.5570	3.0351	3.3422	1.4207	2.1185	1.4387	2.1256	2.1168
C2	2.4892		1.0914	1.0920	1.0931	1.5146	2.2555	2.5676	2.7171	3.5105
H3	2.5570	1.0914		1.7782	1.7792	2.1301	3.1053	2.6877	2.4695	3.7567
H4	3.0351	1.0920	1.7782		1.7766	2.1699	2.5910	3.4726	3.7440	4.3589
H5	3.3422	1.0931	1.7792	1.7766		2.1452	2.6658	2.9878	3.0040	3.8097
C6	1.4207	1.5146	2.1301	2.1699	2.1452		1.0888	1.4822	2.2039	2.2149
H7	2.1185	2.2555	3.1053	2.5910	2.6658	1.0888		2.1885	3.0999	2.4742
C8	1.4387	2.5676	2.6877	3.4726	2.9878	1.4822	2.1885		1.0862	1.0850
H9	2.1256	2.7171	2.4695	3.7440	3.0040	2.2039	3.0999	1.0862		1.8780
H10	2.1168	3.5105	3.7567	4.3589	3.8097	2.2149	2.4742	1.0850	1.8780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	115.954	O1	C6	H7	114.519
O1	C6	C8	59.375	O1	C8	C6	58.187
O1	C8	H9	113.948	O1	C8	H10	113.276
C2	C6	H7	119.168	C2	C6	C8	117.913
H3	C2	H4	109.065	H3	C2	H5	109.072
H3	C2	C6	108.555	H4	C2	H5	108.790
H4	C2	C6	111.676	H5	C2	C6	109.644
C6	O1	C8	62.438	C6	C8	H9	117.379
C6	C8	H10	118.438	H7	C6	C8	115.842
H9	C8	H10	119.758

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

using model chemistry: M06-2X/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	-0.453
2	C	-0.499
3	H	0.172
4	H	0.178
5	H	0.167
6	C	0.071
7	H	0.166
8	C	-0.136
9	H	0.165
10	H	0.169

	x	y	z	Total
	-0.826	1.649	0.729	1.983
CHELPG
AIM
ESP

	x	y	z
x	5.713	0.541	-0.126
y	0.541	4.416	-0.296
z	-0.126	-0.296	4.619

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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