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	hartrees
Energy at 0K	-191.989745
Energy at 298.15K	-191.996880
HF Energy	-191.989745
Nuclear repulsion energy	126.231586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3017	36.03
2	A	3264	2958	46.59
3	A	3245	2941	43.09
4	A	3234	2931	3.55
5	A	3221	2919	32.90
6	A	3165	2868	23.88
7	A	1672	1515	9.00
8	A	1614	1463	5.33
9	A	1600	1450	4.86
10	A	1573	1426	17.49
11	A	1525	1383	3.50
12	A	1406	1274	8.05
13	A	1309	1187	4.94
14	A	1296	1174	2.66
15	A	1266	1148	5.99
16	A	1237	1121	9.05
17	A	1139	1032	9.62
18	A	1070	970	23.69
19	A	985	893	2.59
20	A	940	852	52.23
21	A	851	771	8.23
22	A	442	401	5.90
23	A	397	360	3.79
24	A	227	205	0.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.808	-0.772	-0.248
C2	-1.499	0.103	-0.146
H3	-1.409	0.347	-1.196
H4	-2.057	-0.821	-0.058
H5	-2.063	0.886	0.347
C6	-0.146	-0.037	0.485
H7	-0.144	-0.282	1.533
C8	1.039	0.604	-0.053
H9	0.967	1.197	-0.946
H10	1.875	0.828	0.582

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4696	2.6582	2.8716	3.3689	1.4101	2.0782	1.4087	2.0950	2.0946
C2	2.4696		1.0816	1.0831	1.0836	1.4994	2.1917	2.5879	2.8139	3.5266
H3	2.6582	1.0816		1.7543	1.7605	2.1375	3.0729	2.7133	2.5361	3.7649
H4	2.8716	1.0831	1.7543		1.7544	2.1355	2.5461	3.4074	3.7422	4.3112
H5	3.3689	1.0836	1.7605	1.7544		2.1326	2.5408	3.1402	3.3095	3.9456
C6	1.4101	1.4994	2.1375	2.1355	2.1326		1.0758	1.4505	2.1934	2.2006
H7	2.0782	2.1917	3.0729	2.5461	2.5408	1.0758		2.1673	3.0927	2.4922
C8	1.4087	2.5879	2.7133	3.4074	3.1402	1.4505	2.1673		1.0742	1.0736
H9	2.0950	2.8139	2.5361	3.7422	3.3095	2.1934	3.0927	1.0742		1.8146
H10	2.0946	3.5266	3.7649	4.3112	3.9456	2.2006	2.4922	1.0736	1.8146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.131	O1	C6	H7	112.748
O1	C6	C8	58.983	O1	C8	C6	59.076
O1	C8	H9	114.409	O1	C8	H10	114.416
C2	C6	H7	115.676	C2	C6	C8	122.621
H3	C2	H4	108.274	H3	C2	H5	108.793
H3	C2	C6	110.780	H4	C2	H5	108.134
H4	C2	C6	110.525	H5	C2	C6	110.259
C6	O1	C8	61.940	C6	C8	H9	119.893
C6	C8	H10	120.608	H7	C6	C8	117.387
H9	C8	H10	115.317

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

using model chemistry: HF/Def2TZVPP

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	-0.446
2	C	-0.157
3	H	0.059
4	H	0.063
5	H	0.051
6	C	0.191
7	H	0.053
8	C	0.098
9	H	0.041
10	H	0.048

	x	y	z	Total
	-0.844	1.770	0.771	2.107
CHELPG
AIM
ESP

	x	y	z
x	6.158	0.424	-0.157
y	0.424	4.979	-0.175
z	-0.157	-0.175	4.996

<r²>	73.820
(<r²>)^1/2	8.592

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

using model chemistry: HF/Def2TZVPP

States and conformations

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