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	hartrees
Energy at 0K	-191.975959
Energy at 298.15K	-191.983098
HF Energy	-191.975959
Nuclear repulsion energy	126.096402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3335	3030	35.82
2	A	3272	2973	45.81
3	A	3250	2953	39.58
4	A	3243	2946	2.77
5	A	3229	2934	34.46
6	A	3170	2881	23.64
7	A	1672	1519	8.70
8	A	1616	1468	5.85
9	A	1602	1456	4.79
10	A	1575	1431	17.18
11	A	1527	1387	4.00
12	A	1405	1276	7.72
13	A	1309	1189	5.99
14	A	1293	1175	2.37
15	A	1267	1151	6.35
16	A	1237	1124	9.44
17	A	1139	1035	8.86
18	A	1069	971	23.50
19	A	987	897	2.28
20	A	937	851	54.71
21	A	850	772	8.18
22	A	443	402	6.44
23	A	397	361	4.06
24	A	224	204	0.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.833	-0.761	-0.282
C2	-1.494	0.099	-0.143
H3	-1.367	0.157	-1.218
H4	-2.173	-0.716	0.090
H5	-1.930	1.029	0.212
C6	-0.140	-0.102	0.504
H7	-0.091	-0.325	1.560
C8	1.006	0.641	-0.042
H9	0.835	1.256	-0.911
H10	1.834	0.859	0.611

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4850	2.5608	3.0288	3.3294	1.4141	2.1064	1.4333	2.1132	2.1037
C2	2.4850		1.0844	1.0858	1.0869	1.5136	2.2471	2.5602	2.7114	3.4964
H3	2.5608	1.0844		1.7674	1.7677	2.1297	3.0950	2.6919	2.4796	3.7529
H4	3.0288	1.0858	1.7674		1.7662	2.1628	2.5784	3.4587	3.7329	4.3367
H5	3.3294	1.0869	1.7677	1.7662		2.1371	2.6519	2.9726	2.9928	3.7894
C6	1.4141	1.5136	2.1297	2.1628	2.1371		1.0807	1.4712	2.1899	2.1988
H7	2.1064	2.2471	3.0950	2.5784	2.6519	1.0807		2.1684	3.0756	2.4509
C8	1.4333	2.5602	2.6919	3.4587	2.9726	1.4712	2.1684		1.0779	1.0771
H9	2.1132	2.7114	2.4796	3.7329	2.9928	2.1899	3.0756	1.0779		1.8634
H10	2.1037	3.4964	3.7529	4.3367	3.7894	2.1988	2.4509	1.0771	1.8634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.113	O1	C6	H7	114.540
O1	C6	C8	59.532	O1	C8	C6	58.255
O1	C8	H9	113.850	O1	C8	H10	113.092
C2	C6	H7	119.088	C2	C6	C8	118.122
H3	C2	H4	109.055	H3	C2	H5	109.000
H3	C2	C6	108.997	H4	C2	H5	108.760
H4	C2	C6	111.555	H5	C2	C6	109.436
C6	O1	C8	62.213	C6	C8	H9	117.600
C6	C8	H10	118.456	H7	C6	C8	115.519
H9	C8	H10	119.690

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

using model chemistry: HF/TZVP

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	-0.333
2	C	-0.271
3	H	0.092
4	H	0.093
5	H	0.079
6	C	0.127
7	H	0.099
8	C	-0.052
9	H	0.083
10	H	0.084

	x	y	z	Total
	-0.903	1.905	0.840	2.269
CHELPG
AIM
ESP

	x	y	z
x	5.971	0.470	-0.190
y	0.470	4.801	-0.208
z	-0.190	-0.208	4.844

<r²>	73.953
(<r²>)^1/2	8.600

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

using model chemistry: HF/TZVP

States and conformations

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