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	hartrees
Energy at 0K	-193.115336
Energy at 298.15K	-193.122286
HF Energy	-193.115336
Nuclear repulsion energy	125.211074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3056	29.40
2	A	3152	3010	30.73
3	A	3135	2994	20.11
4	A	3126	2985	11.42
5	A	3109	2969	26.66
6	A	3060	2922	16.32
7	A	1547	1477	8.73
8	A	1506	1438	7.40
9	A	1490	1423	6.66
10	A	1454	1389	21.19
11	A	1413	1349	4.36
12	A	1309	1250	5.36
13	A	1201	1147	2.05
14	A	1178	1125	5.24
15	A	1168	1116	0.80
16	A	1143	1092	8.40
17	A	1052	1004	11.43
18	A	1002	957	16.58
19	A	919	877	2.10
20	A	870	831	43.59
21	A	803	766	6.51
22	A	422	403	5.04
23	A	371	355	3.67
24	A	211	201	0.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.824	-0.782	-0.248
C2	-1.502	0.100	-0.148
H3	-1.403	0.344	-1.206
H4	-2.065	-0.831	-0.061
H5	-2.073	0.892	0.343
C6	-0.151	-0.043	0.488
H7	-0.150	-0.275	1.551
C8	1.036	0.615	-0.056
H9	0.942	1.221	-0.953
H10	1.865	0.870	0.597

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4900	2.6725	2.8951	3.3970	1.4274	2.1074	1.4255	2.1263	2.1272
C2	2.4900		1.0908	1.0913	1.0920	1.5002	2.2036	2.5913	2.8069	3.5338
H3	2.6725	1.0908		1.7691	1.7747	2.1416	3.0911	2.7097	2.5161	3.7694
H4	2.8951	1.0913	1.7691		1.7696	2.1409	2.5640	3.4209	3.7477	4.3324
H5	3.3970	1.0920	1.7747	1.7696		2.1419	2.5530	3.1459	3.2977	3.9461
C6	1.4274	1.5002	2.1416	2.1409	2.1419		1.0880	1.4619	2.2065	2.2161
H7	2.1074	2.2036	3.0911	2.5640	2.5530	1.0880		2.1860	3.1143	2.5061
C8	1.4255	2.5913	2.7097	3.4209	3.1459	1.4619	2.1860		1.0867	1.0859
H9	2.1263	2.8069	2.5161	3.7477	3.2977	2.2065	3.1143	1.0867		1.8380
H10	2.1272	3.5338	3.7694	4.3324	3.9461	2.2161	2.5061	1.0859	1.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.514	O1	C6	H7	113.125
O1	C6	C8	59.114	O1	C8	C6	59.236
O1	C8	H9	114.971	O1	C8	H10	115.106
C2	C6	H7	115.810	C2	C6	C8	122.045
H3	C2	H4	108.337	H3	C2	H5	108.789
H3	C2	C6	110.496	H4	C2	H5	108.295
H4	C2	C6	110.411	H5	C2	C6	110.446
C6	O1	C8	61.650	C6	C8	H9	119.214
C6	C8	H10	120.153	H7	C6	C8	117.273
H9	C8	H10	115.552

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

using model chemistry: wB97X-D/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	-0.262
2	C	-0.364
3	H	0.124
4	H	0.132
5	H	0.118
6	C	0.015
7	H	0.140
8	C	-0.136
9	H	0.116
10	H	0.117

	x	y	z	Total
	-0.893	1.736	0.746	2.090
CHELPG
AIM
ESP

	x	y	z
x	6.377	0.465	-0.166
y	0.465	5.116	-0.207
z	-0.166	-0.207	5.183

<r²>	74.447
(<r²>)^1/2	8.628

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

using model chemistry: wB97X-D/TZVP

States and conformations

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