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	hartrees
Energy at 0K	-36.377005
Energy at 298.15K	-36.383820
Nuclear repulsion energy	68.631846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3255	3116	49.95
2	A	3188	3052	58.56
3	A	3168	3033	11.56
4	A	3162	3028	32.77
5	A	3150	3016	32.56
6	A	3072	2941	24.72
7	A	1524	1460	3.99
8	A	1504	1440	13.05
9	A	1488	1424	10.19
10	A	1447	1386	21.39
11	A	1415	1354	4.68
12	A	1282	1228	2.05
13	A	1190	1139	3.44
14	A	1162	1112	6.25
15	A	1150	1101	2.83
16	A	1103	1056	10.46
17	A	1025	981	11.08
18	A	974	933	9.43
19	A	904	866	1.05
20	A	829	793	42.20
21	A	766	733	4.04
22	A	391	375	4.34
23	A	356	341	6.92
24	A	200	192	0.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.855	-0.821	-0.232
C2	-1.528	0.092	-0.158
H3	-1.419	0.277	-1.237
H4	-2.103	-0.839	-0.025
H5	-2.108	0.920	0.284
C6	-0.166	-0.022	0.507
H7	-0.166	-0.228	1.581
C8	1.049	0.645	-0.071
H9	0.953	1.225	-0.993
H10	1.879	0.928	0.581

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5532	2.7179	2.9652	3.4755	1.4928	2.1641	1.4875	2.1853	2.1849
C2	2.5532		1.1006	1.1017	1.1037	1.5200	2.2320	2.6372	2.8527	3.5861
H3	2.7179	1.1006		1.7838	1.7896	2.1681	3.1254	2.7540	2.5657	3.8225
H4	2.9652	1.1017	1.7838		1.7863	2.1686	2.5894	3.4838	3.8123	4.3991
H5	3.4755	1.1037	1.7896	1.7863		2.1698	2.6023	3.1887	3.3306	3.9986
C6	1.4928	1.5200	2.1681	2.1686	2.1698		1.0940	1.5014	2.2486	2.2567
H7	2.1641	2.2320	3.1254	2.5894	2.6023	1.0940		2.2290	3.1609	2.5538
C8	1.4875	2.6372	2.7540	3.4838	3.1887	1.5014	2.2290		1.0936	1.0939
H9	2.1853	2.8527	2.5657	3.8123	3.3306	2.2486	3.1609	1.0936		1.8511
H10	2.1849	3.5861	3.8225	4.3991	3.9986	2.2567	2.5538	1.0939	1.8511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	115.868	O1	C6	H7	112.654
O1	C6	C8	59.576	O1	C8	C6	59.926
O1	C8	H9	114.843	O1	C8	H10	114.788
C2	C6	H7	116.324	C2	C6	C8	121.584
H3	C2	H4	108.189	H3	C2	H5	108.563
H3	C2	C6	110.633	H4	C2	H5	108.186
H4	C2	C6	110.604	H5	C2	C6	110.581
C6	O1	C8	60.498	C6	C8	H9	119.276
C6	C8	H10	119.989	H7	C6	C8	117.518
H9	C8	H10	115.602

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

using model chemistry: B1B95/CEP-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	-0.285
2	C	-0.419
3	H	0.168
4	H	0.158
5	H	0.134
6	C	-0.038
7	H	0.224
8	C	-0.308
9	H	0.191
10	H	0.175

	x	y	z	Total
	-1.182	2.266	0.867	2.699
CHELPG
AIM
ESP

	x	y	z
x	5.624	0.435	-0.316
y	0.435	4.463	-0.168
z	-0.316	-0.168	4.247

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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