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	hartrees
Energy at 0K	-193.035208
Energy at 298.15K	-193.042114
Nuclear repulsion energy	125.038819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3065	28.65
2	A	3158	3021	29.26
3	A	3140	3003	18.36
4	A	3129	2993	14.60
5	A	3112	2977	27.36
6	A	3061	2928	18.69
7	A	1542	1475	11.26
8	A	1496	1431	7.53
9	A	1481	1417	6.16
10	A	1450	1387	21.71
11	A	1399	1339	4.39
12	A	1304	1247	4.93
13	A	1187	1136	2.30
14	A	1167	1116	4.99
15	A	1156	1106	0.37
16	A	1129	1080	9.02
17	A	1042	997	14.18
18	A	999	956	13.47
19	A	907	868	3.89
20	A	877	839	40.89
21	A	803	768	6.68
22	A	405	387	5.40
23	A	364	348	3.49
24	A	214	204	0.44

Atom	x (Å)	y (Å)	z (Å)
O1	0.821	-0.781	-0.248
C2	-1.503	0.102	-0.147
H3	-1.404	0.343	-1.207
H4	-2.072	-0.827	-0.058
H5	-2.074	0.897	0.341
C6	-0.152	-0.044	0.487
H7	-0.150	-0.274	1.553
C8	1.040	0.612	-0.055
H9	0.948	1.222	-0.952
H10	1.871	0.865	0.600

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4886	2.6714	2.9001	3.3978	1.4254	2.1084	1.4236	2.1268	2.1283
C2	2.4886		1.0920	1.0931	1.0937	1.4997	2.2047	2.5958	2.8126	3.5391
H3	2.6714	1.0920		1.7707	1.7760	2.1423	3.0939	2.7158	2.5239	3.7772
H4	2.9001	1.0931	1.7707		1.7700	2.1445	2.5681	3.4293	3.7575	4.3411
H5	3.3978	1.0937	1.7760	1.7700		2.1446	2.5570	3.1521	3.3029	3.9533
C6	1.4254	1.4997	2.1423	2.1445	2.1446		1.0904	1.4650	2.2099	2.2204
H7	2.1084	2.2047	3.0939	2.5681	2.5570	1.0904		2.1886	3.1178	2.5082
C8	1.4236	2.5958	2.7158	3.4293	3.1521	1.4650	2.1886		1.0885	1.0879
H9	2.1268	2.8126	2.5239	3.7575	3.3029	2.2099	3.1178	1.0885		1.8413
H10	2.1283	3.5391	3.7772	4.3411	3.9533	2.2204	2.5082	1.0879	1.8413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.571	O1	C6	H7	113.200
O1	C6	C8	58.995	O1	C8	C6	59.116
O1	C8	H9	115.043	O1	C8	H10	115.219
C2	C6	H7	115.789	C2	C6	C8	122.224
H3	C2	H4	108.265	H3	C2	H5	108.688
H3	C2	C6	110.513	H4	C2	H5	108.073
H4	C2	C6	110.626	H5	C2	C6	110.595
C6	O1	C8	61.889	C6	C8	H9	119.133
C6	C8	H10	120.145	H7	C6	C8	117.094
H9	C8	H10	115.570

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

using model chemistry: B1B95/6-31+G**

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	-0.330
2	C	-0.552
3	H	0.164
4	H	0.172
5	H	0.163
6	C	0.079
7	H	0.149
8	C	-0.139
9	H	0.146
10	H	0.148

	x	y	z	Total
	-0.900	1.768	0.733	2.115
CHELPG
AIM
ESP

	x	y	z
x	6.423	0.414	-0.137
y	0.414	5.142	-0.146
z	-0.137	-0.146	5.207

<r²>	74.657
(<r²>)^1/2	8.640

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

using model chemistry: B1B95/6-31+G**

States and conformations

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