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	hartrees
Energy at 0K	-193.101879
Energy at 298.15K	-193.108809
Nuclear repulsion energy	125.226157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3197	3052	42.15
2	A	3149	3006	41.80
3	A	3130	2987	24.65
4	A	3124	2982	13.43
5	A	3108	2966	33.24
6	A	3060	2920	20.85
7	A	1558	1487	8.18
8	A	1518	1449	7.59
9	A	1503	1435	6.76
10	A	1466	1399	22.00
11	A	1418	1354	4.93
12	A	1317	1257	5.99
13	A	1200	1145	1.25
14	A	1179	1125	5.37
15	A	1162	1109	2.27
16	A	1144	1092	7.23
17	A	1055	1007	13.00
18	A	1003	957	15.53
19	A	917	875	2.94
20	A	877	837	40.75
21	A	803	767	6.54
22	A	412	394	4.84
23	A	368	352	3.63
24	A	212	203	0.53

Atom	x (Å)	y (Å)	z (Å)
O1	0.820	-0.779	-0.248
C2	-1.501	0.102	-0.146
H3	-1.407	0.337	-1.207
H4	-2.071	-0.826	-0.056
H5	-2.075	0.897	0.337
C6	-0.151	-0.043	0.486
H7	-0.148	-0.274	1.551
C8	1.039	0.610	-0.056
H9	0.949	1.220	-0.952
H10	1.869	0.863	0.600

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4850	2.6695	2.8978	3.3961	1.4224	2.1042	1.4197	2.1238	2.1252
C2	2.4850		1.0913	1.0925	1.0930	1.4983	2.2027	2.5927	2.8118	3.5345
H3	2.6695	1.0913		1.7664	1.7729	2.1425	3.0928	2.7174	2.5291	3.7777
H4	2.8978	1.0925	1.7664		1.7675	2.1437	2.5663	3.4260	3.7567	4.3364
H5	3.3961	1.0930	1.7729	1.7675		2.1470	2.5613	3.1520	3.3029	3.9524
C6	1.4224	1.4983	2.1425	2.1437	2.1470		1.0895	1.4616	2.2074	2.2161
H7	2.1042	2.2027	3.0928	2.5663	2.5613	1.0895		2.1845	3.1142	2.5024
C8	1.4197	2.5927	2.7174	3.4260	3.1520	1.4616	2.1845		1.0876	1.0871
H9	2.1238	2.8118	2.5291	3.7567	3.3029	2.2074	3.1142	1.0876		1.8387
H10	2.1252	3.5345	3.7777	4.3364	3.9524	2.2161	2.5024	1.0871	1.8387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.582	O1	C6	H7	113.133
O1	C6	C8	58.963	O1	C8	C6	59.141
O1	C8	H9	115.141	O1	C8	H10	115.297
C2	C6	H7	115.788	C2	C6	C8	122.305
H3	C2	H4	107.971	H3	C2	H5	108.515
H3	C2	C6	110.670	H4	C2	H5	107.952
H4	C2	C6	110.697	H5	C2	C6	110.929
C6	O1	C8	61.897	C6	C8	H9	119.251
C6	C8	H10	120.080	H7	C6	C8	117.062
H9	C8	H10	115.442

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

using model chemistry: mPW1PW91/6-311G*

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	-0.294
2	C	-0.660
3	H	0.228
4	H	0.234
5	H	0.224
6	C	-0.086
7	H	0.214
8	C	-0.291
9	H	0.215
10	H	0.217

	x	y	z	Total
	-0.813	1.649	0.698	1.967
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	74.370
(<r²>)^1/2	8.624

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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