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	hartrees
Energy at 0K	-193.070523
Energy at 298.15K	-193.077439
Nuclear repulsion energy	125.325064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3056	36.46
2	A	3141	3015	33.51
3	A	3122	2998	21.56
4	A	3112	2988	14.54
5	A	3093	2970	29.20
6	A	3050	2928	18.00
7	A	1538	1477	9.77
8	A	1493	1433	6.75
9	A	1477	1418	6.10
10	A	1446	1389	20.85
11	A	1396	1340	4.53
12	A	1303	1251	5.66
13	A	1184	1136	1.52
14	A	1166	1119	5.24
15	A	1149	1103	1.42
16	A	1129	1084	7.57
17	A	1042	1001	13.73
18	A	998	958	13.56
19	A	907	870	3.98
20	A	876	841	36.30
21	A	802	770	5.98
22	A	405	389	5.41
23	A	365	350	3.10
24	A	213	204	0.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.818	-0.779	-0.249
C2	-1.499	0.102	-0.146
H3	-1.395	0.338	-1.206
H4	-2.069	-0.825	-0.058
H5	-2.070	0.899	0.335
C6	-0.150	-0.045	0.488
H7	-0.148	-0.273	1.553
C8	1.038	0.610	-0.056
H9	0.939	1.224	-0.948
H10	1.865	0.866	0.599

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4810	2.6576	2.8935	3.3910	1.4213	2.1061	1.4195	2.1248	2.1266
C2	2.4810		1.0905	1.0917	1.0921	1.4976	2.2025	2.5884	2.8003	3.5292
H3	2.6576	1.0905		1.7672	1.7734	2.1369	3.0882	2.7043	2.5093	3.7636
H4	2.8935	1.0917	1.7672		1.7678	2.1417	2.5669	3.4218	3.7459	4.3321
H5	3.3910	1.0921	1.7734	1.7678		2.1447	2.5589	3.1458	3.2871	3.9443
C6	1.4213	1.4976	2.1369	2.1417	2.1447		1.0884	1.4620	2.2042	2.2147
H7	2.1061	2.2025	3.0882	2.5669	2.5589	1.0884		2.1850	3.1101	2.5019
C8	1.4195	2.5884	2.7043	3.4218	3.1458	1.4620	2.1850		1.0868	1.0862
H9	2.1248	2.8003	2.5093	3.7459	3.2871	2.2042	3.1101	1.0868		1.8382
H10	2.1266	3.5292	3.7636	4.3321	3.9443	2.2147	2.5019	1.0862	1.8382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.397	O1	C6	H7	113.445
O1	C6	C8	58.964	O1	C8	C6	59.088
O1	C8	H9	115.303	O1	C8	H10	115.506
C2	C6	H7	115.894	C2	C6	C8	121.993
H3	C2	H4	108.163	H3	C2	H5	108.679
H3	C2	C6	110.323	H4	C2	H5	108.094
H4	C2	C6	110.643	H5	C2	C6	110.855
C6	O1	C8	61.948	C6	C8	H9	118.980
C6	C8	H10	119.992	H7	C6	C8	117.154
H9	C8	H10	115.541

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

using model chemistry: B1B95/6-311G**

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	-0.298
2	C	-0.295
3	H	0.123
4	H	0.132
5	H	0.124
6	C	-0.084
7	H	0.130
8	C	-0.076
9	H	0.121
10	H	0.123

	x	y	z	Total
	-0.814	1.625	0.692	1.944
CHELPG
AIM
ESP

	x	y	z
x	6.205	0.514	-0.120
y	0.514	4.770	-0.245
z	-0.120	-0.245	4.936

<r²>	74.189
(<r²>)^1/2	8.613

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

using model chemistry: B1B95/6-311G**

States and conformations

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