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	hartrees
Energy at 0K	-191.842820
Energy at 298.15K	-191.849861
Nuclear repulsion energy	123.728608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3447	3102	35.71
2	A	3372	3035	33.69
3	A	3340	3006	34.07
4	A	3305	2974	25.66
5	A	3289	2959	43.31
6	A	3207	2886	34.08
7	A	1666	1499	3.52
8	A	1645	1480	10.56
9	A	1632	1468	8.14
10	A	1586	1427	14.78
11	A	1554	1399	4.25
12	A	1389	1250	3.81
13	A	1313	1181	2.24
14	A	1289	1160	3.65
15	A	1273	1146	4.02
16	A	1213	1091	11.97
17	A	1135	1021	5.94
18	A	1046	941	9.69
19	A	993	894	2.39
20	A	865	778	72.43
21	A	806	725	4.73
22	A	432	389	4.76
23	A	393	354	9.87
24	A	208	187	0.78

Atom	x (Å)	y (Å)	z (Å)
O1	-0.842	0.813	-0.221
C2	1.516	-0.090	-0.154
H3	1.423	-0.251	-1.221
H4	2.078	0.824	-0.000
H5	2.080	-0.912	0.274
C6	0.159	0.012	0.493
H7	0.162	0.205	1.549
C8	-1.041	-0.634	-0.074
H9	-0.960	-1.189	-0.988
H10	-1.856	-0.910	0.564

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5263	2.6951	2.9286	3.4289	1.4675	2.1239	1.4681	2.1472	2.1478
C2	2.5263		1.0825	1.0835	1.0850	1.5072	2.1962	2.6156	2.8348	3.5448
H3	2.6951	1.0825		1.7536	1.7610	2.1457	3.0774	2.7444	2.5714	3.7913
H4	2.9286	1.0835	1.7536		1.7579	2.1410	2.5408	3.4435	3.7760	4.3365
H5	3.4289	1.0850	1.7610	1.7579		2.1426	2.5595	3.1517	3.3025	3.9466
C6	1.4675	1.5072	2.1457	2.1410	2.1426		1.0734	1.4762	2.2113	2.2179
H7	2.1239	2.1962	3.0774	2.5408	2.5595	1.0734		2.1872	3.1045	2.5074
C8	1.4681	2.6156	2.7444	3.4435	3.1517	1.4762	2.1872		1.0724	1.0716
H9	2.1472	2.8348	2.5714	3.7760	3.3025	2.2113	3.1045	1.0724		1.8138
H10	2.1478	3.5448	3.7913	4.3365	3.9466	2.2179	2.5074	1.0716	1.8138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.259	O1	C6	H7	112.498
O1	C6	C8	59.829	O1	C8	C6	59.790
O1	C8	H9	114.495	O1	C8	H10	114.596
C2	C6	H7	115.626	C2	C6	C8	122.498
H3	C2	H4	108.108	H3	C2	H5	108.672
H3	C2	C6	110.830	H4	C2	H5	108.320
H4	C2	C6	110.399	H5	C2	C6	110.433
C6	O1	C8	60.381	C6	C8	H9	119.531
C6	C8	H10	120.195	H7	C6	C8	117.281
H9	C8	H10	115.553

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

using model chemistry: HF/LANL2DZ

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	-0.482
2	C	-0.561
3	H	0.187
4	H	0.196
5	H	0.171
6	C	0.124
7	H	0.189
8	C	-0.198
9	H	0.181
10	H	0.191

	x	y	z	Total
	1.257	-2.591	0.984	3.044
CHELPG
AIM
ESP

	x	y	z
x	5.401	0.447	0.373
y	0.447	4.426	0.157
z	0.373	0.157	4.226

<r²>	75.877
(<r²>)^1/2	8.711

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

using model chemistry: HF/LANL2DZ

States and conformations

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