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	hartrees
Energy at 0K	-193.023623
Energy at 298.15K	-193.030398
HF Energy	-193.023623
Nuclear repulsion energy	123.156265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3082	3057	49.43
2	A	3050	3025	31.38
3	A	3026	3002	26.56
4	A	3011	2986	21.60
5	A	3005	2981	35.39
6	A	2969	2945	21.78
7	A	1512	1500	3.54
8	A	1491	1479	4.08
9	A	1477	1465	3.04
10	A	1413	1402	17.30
11	A	1391	1380	7.34
12	A	1259	1249	3.20
13	A	1159	1150	0.79
14	A	1131	1122	4.89
15	A	1114	1105	0.78
16	A	1101	1092	5.89
17	A	1012	1003	5.35
18	A	942	934	12.79
19	A	880	873	3.40
20	A	811	804	32.48
21	A	734	728	9.57
22	A	398	395	3.91
23	A	352	349	3.44
24	A	213	211	0.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.834	-0.794	-0.244
C2	-1.524	0.101	-0.148
H3	-1.433	0.335	-1.221
H4	-2.095	-0.837	-0.050
H5	-2.106	0.904	0.338
C6	-0.151	-0.040	0.490
H7	-0.157	-0.252	1.570
C8	1.054	0.618	-0.062
H9	0.961	1.238	-0.965
H10	1.882	0.895	0.605

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5245	2.7142	2.9361	3.4446	1.4410	2.1370	1.4403	2.1597	2.1614
C2	2.5245		1.1013	1.1029	1.1038	1.5211	2.2245	2.6308	2.8519	3.5775
H3	2.7142	1.1013		1.7842	1.7902	2.1700	3.1243	2.7576	2.5705	3.8252
H4	2.9361	1.1029	1.7842		1.7834	2.1696	2.5933	3.4690	3.8053	4.3870
H5	3.4446	1.1038	1.7902	1.7834		2.1765	2.5796	3.1980	3.3486	3.9967
C6	1.4410	1.5211	2.1700	2.1696	2.1765		1.1011	1.4794	2.2326	2.2402
H7	2.1370	2.2245	3.1243	2.5933	2.5796	1.1011		2.2107	3.1457	2.5301
C8	1.4403	2.6308	2.7576	3.4690	3.1980	1.4794	2.2107		1.0991	1.0991
H9	2.1597	2.8519	2.5705	3.8053	3.3486	2.2326	3.1457	1.0991		1.8526
H10	2.1614	3.5775	3.8252	4.3870	3.9967	2.2402	2.5301	1.0991	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.893	O1	C6	H7	113.747
O1	C6	C8	59.081	O1	C8	C6	59.129
O1	C8	H9	115.882	O1	C8	H10	116.031
C2	C6	H7	115.121	C2	C6	C8	122.507
H3	C2	H4	108.091	H3	C2	H5	108.558
H3	C2	C6	110.671	H4	C2	H5	107.838
H4	C2	C6	110.544	H5	C2	C6	111.034
C6	O1	C8	61.790	C6	C8	H9	119.224
C6	C8	H10	119.914	H7	C6	C8	117.140
H9	C8	H10	114.872

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

using model chemistry: BLYP/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	-0.413
2	C	-0.424
3	H	0.143
4	H	0.147
5	H	0.135
6	C	0.125
7	H	0.119
8	C	-0.093
9	H	0.130
10	H	0.130

	x	y	z	Total
	-0.844	1.568	0.612	1.883
CHELPG
AIM
ESP

	x	y	z
x	6.028	0.542	-0.125
y	0.542	4.577	-0.266
z	-0.125	-0.266	4.788

<r²>	76.257
(<r²>)^1/2	8.733

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

using model chemistry: BLYP/6-31G*

States and conformations

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