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	hartrees
Energy at 0K	-192.888360
Energy at 298.15K	-192.895277
HF Energy	-192.700184
Nuclear repulsion energy	124.519069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3062	34.65
2	A	3174	3013	31.73
3	A	3156	2995	22.20
4	A	3149	2989	13.24
5	A	3138	2979	25.74
6	A	3084	2927	16.44
7	A	1577	1496	4.26
8	A	1547	1469	5.17
9	A	1534	1456	3.54
10	A	1483	1407	18.54
11	A	1446	1373	4.68
12	A	1317	1250	3.07
13	A	1213	1151	1.02
14	A	1188	1128	4.56
15	A	1171	1111	0.58
16	A	1151	1092	6.80
17	A	1060	1006	6.69
18	A	993	942	13.50
19	A	924	877	2.33
20	A	865	821	36.63
21	A	786	746	6.87
22	A	414	393	4.36
23	A	368	350	4.07
24	A	216	205	0.55

Atom	x (Å)	y (Å)	z (Å)
O1	0.827	-0.792	-0.239
C2	-1.508	0.099	-0.149
H3	-1.406	0.328	-1.213
H4	-2.071	-0.834	-0.052
H5	-2.084	0.896	0.330
C6	-0.152	-0.034	0.490
H7	-0.156	-0.247	1.559
C8	1.041	0.617	-0.062
H9	0.951	1.217	-0.966
H10	1.868	0.885	0.591

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4998	2.6810	2.9037	3.4122	1.4365	2.1205	1.4354	2.1396	2.1415
C2	2.4998		1.0925	1.0936	1.0944	1.5043	2.2060	2.6017	2.8220	3.5445
H3	2.6810	1.0925		1.7715	1.7779	2.1453	3.0949	2.7193	2.5319	3.7800
H4	2.9037	1.0936	1.7715		1.7715	2.1479	2.5707	3.4328	3.7648	4.3457
H5	3.4122	1.0944	1.7779	1.7715		2.1499	2.5565	3.1614	3.3158	3.9610
C6	1.4365	1.5043	2.1453	2.1479	2.1499		1.0905	1.4666	2.2140	2.2222
H7	2.1205	2.2060	3.0949	2.5707	2.5565	1.0905		2.1922	3.1215	2.5131
C8	1.4354	2.6017	2.7193	3.4328	3.1614	1.4666	2.1922		1.0885	1.0881
H9	2.1396	2.8220	2.5319	3.7648	3.3158	2.2140	3.1215	1.0885		1.8370
H10	2.1415	3.5445	3.7800	4.3457	3.9610	2.2222	2.5131	1.0881	1.8370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.414	O1	C6	H7	113.391
O1	C6	C8	59.251	O1	C8	C6	59.329
O1	C8	H9	115.252	O1	C8	H10	115.435
C2	C6	H7	115.537	C2	C6	C8	122.257
H3	C2	H4	108.254	H3	C2	H5	108.779
H3	C2	C6	110.407	H4	C2	H5	108.122
H4	C2	C6	110.545	H5	C2	C6	110.657
C6	O1	C8	61.420	C6	C8	H9	119.372
C6	C8	H10	120.153	H7	C6	C8	117.272
H9	C8	H10	115.121

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

using model chemistry: B2PLYP/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	-0.456
2	C	-0.480
3	H	0.165
4	H	0.169
5	H	0.156
6	C	0.097
7	H	0.154
8	C	-0.119
9	H	0.156
10	H	0.158

	x	y	z	Total
	-0.857	1.713	0.688	2.035
CHELPG
AIM
ESP

	x	y	z
x	5.703	0.516	-0.144
y	0.516	4.420	-0.259
z	-0.144	-0.259	4.594

<r²>	74.900
(<r²>)^1/2	8.654

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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