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	hartrees
Energy at 0K	-191.980485
Energy at 298.15K	-191.987625
Nuclear repulsion energy	126.264456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3323	3020	33.39
2	A	3259	2961	45.79
3	A	3240	2944	42.55
4	A	3230	2935	2.95
5	A	3216	2922	32.43
6	A	3160	2871	23.19
7	A	1671	1518	9.44
8	A	1614	1467	5.49
9	A	1600	1454	5.12
10	A	1573	1430	17.60
11	A	1525	1385	3.43
12	A	1407	1279	8.74
13	A	1309	1189	5.50
14	A	1296	1178	2.33
15	A	1266	1150	6.21
16	A	1238	1125	9.40
17	A	1138	1034	10.02
18	A	1071	973	23.26
19	A	984	894	2.61
20	A	942	856	52.88
21	A	852	774	8.34
22	A	441	401	5.80
23	A	397	361	3.97
24	A	226	205	0.54

Atom	x (Å)	y (Å)	z (Å)
O1	0.809	-0.765	-0.253
C2	-1.501	0.106	-0.143
H3	-1.415	0.358	-1.192
H4	-2.063	-0.817	-0.060
H5	-2.060	0.888	0.359
C6	-0.143	-0.049	0.480
H7	-0.147	-0.294	1.530
C8	1.041	0.600	-0.049
H9	0.964	1.214	-0.930
H10	1.868	0.832	0.599

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4711	2.6628	2.8786	3.3669	1.3987	2.0772	1.3996	2.0973	2.0972
C2	2.4711		1.0823	1.0839	1.0844	1.5018	2.1893	2.5909	2.8146	3.5249
H3	2.6628	1.0823		1.7562	1.7616	2.1400	3.0731	2.7196	2.5419	3.7693
H4	2.8786	1.0839	1.7562		1.7558	2.1364	2.5438	3.4117	3.7475	4.3129
H5	3.3669	1.0844	1.7616	1.7558		2.1366	2.5348	3.1404	3.3031	3.9348
C6	1.3987	1.5018	2.1400	2.1364	2.1366		1.0781	1.4504	2.1930	2.1989
H7	2.0772	2.1893	3.0731	2.5438	2.5348	1.0781		2.1686	3.0915	2.4886
C8	1.3996	2.5909	2.7196	3.4117	3.1404	1.4504	2.1686		1.0762	1.0758
H9	2.0973	2.8146	2.5419	3.7475	3.3031	2.1930	3.0915	1.0762		1.8160
H10	2.0972	3.5249	3.7693	4.3129	3.9348	2.1989	2.4886	1.0758	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.803	O1	C6	H7	113.366
O1	C6	C8	58.810	O1	C8	C6	58.751
O1	C8	H9	115.175	O1	C8	H10	115.200
C2	C6	H7	115.130	C2	C6	C8	122.703
H3	C2	H4	108.331	H3	C2	H5	108.783
H3	C2	C6	110.769	H4	C2	H5	108.136
H4	C2	C6	110.382	H5	C2	C6	110.365
C6	O1	C8	62.439	C6	C8	H9	119.716
C6	C8	H10	120.297	H7	C6	C8	117.349
H9	C8	H10	115.104

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.764
2	C	-0.388
3	H	0.118
4	H	0.119
5	H	0.131
6	C	0.404
7	H	0.102
8	C	0.054
9	H	0.108
10	H	0.116

	x	y	z	Total
	-0.854	1.780	0.779	2.123
CHELPG
AIM
ESP

	x	y	z
x	6.259	0.364	-0.130
y	0.364	5.137	-0.120
z	-0.130	-0.120	5.107

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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