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	hartrees
Energy at 0K	-192.086926
Energy at 298.15K	-192.093767
Nuclear repulsion energy	125.211105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3048	29.59
2	A	3087	3036	11.90
3	A	3075	3025	9.62
4	A	3028	2978	20.87
5	A	3010	2961	23.42
6	A	2989	2940	10.05
7	A	1504	1479	13.87
8	A	1442	1418	7.13
9	A	1424	1401	6.82
10	A	1406	1383	18.02
11	A	1344	1322	7.47
12	A	1268	1247	3.60
13	A	1152	1133	2.96
14	A	1129	1111	3.80
15	A	1107	1089	5.31
16	A	1088	1070	4.69
17	A	1007	990	17.08
18	A	984	968	8.86
19	A	874	860	13.85
20	A	862	848	17.85
21	A	799	786	6.71
22	A	398	392	5.05
23	A	357	351	3.13
24	A	220	216	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.816	-0.778	-0.256
C2	-1.489	0.105	-0.146
H3	-1.373	0.362	-1.211
H4	-2.072	-0.829	-0.081
H5	-2.072	0.901	0.347
C6	-0.153	-0.054	0.491
H7	-0.154	-0.285	1.569
C8	1.035	0.609	-0.053
H9	0.922	1.246	-0.944
H10	1.872	0.873	0.611

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4701	2.6456	2.8931	3.3941	1.4211	2.1242	1.4180	2.1398	2.1427
C2	2.4701		1.1023	1.1027	1.1030	1.4880	2.2083	2.5751	2.7840	3.5294
H3	2.6456	1.1023		1.7843	1.7907	2.1345	3.1042	2.6829	2.4732	3.7558
H4	2.8931	1.1027	1.7843		1.7825	2.1468	2.5885	3.4231	3.7430	4.3507
H5	3.3941	1.1030	1.7907	1.7825		2.1483	2.5660	3.1459	3.2782	3.9528
C6	1.4211	1.4880	2.1345	2.1468	2.1483		1.1031	1.4646	2.2142	2.2304
H7	2.1242	2.2083	3.1042	2.5885	2.5660	1.1031		2.2002	3.1329	2.5224
C8	1.4180	2.5751	2.6829	3.4231	3.1459	1.4646	2.2002		1.1014	1.1003
H9	2.1398	2.7840	2.4732	3.7430	3.2782	2.2142	3.1329	1.1014		1.8594
H10	2.1427	3.5294	3.7558	4.3507	3.9528	2.2304	2.5224	1.1003	1.8594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.212	O1	C6	H7	114.012
O1	C6	C8	58.839	O1	C8	C6	59.048
O1	C8	H9	115.711	O1	C8	H10	116.045
C2	C6	H7	116.125	C2	C6	C8	121.412
H3	C2	H4	108.042	H3	C2	H5	108.582
H3	C2	C6	110.086	H4	C2	H5	107.828
H4	C2	C6	111.049	H5	C2	C6	111.150
C6	O1	C8	62.114	C6	C8	H9	118.601
C6	C8	H10	120.156	H7	C6	C8	117.235
H9	C8	H10	115.243

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

using model chemistry: SVWN/6-31G**

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	-0.385
2	C	-0.439
3	H	0.149
4	H	0.158
5	H	0.147
6	C	0.074
7	H	0.132
8	C	-0.105
9	H	0.133
10	H	0.137

	x	y	z	Total
	-0.846	1.502	0.640	1.839
CHELPG
AIM
ESP

	x	y	z
x	6.032	0.552	-0.075
y	0.552	4.595	-0.300
z	-0.075	-0.300	4.853

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-31G**

States and conformations

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