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	hartrees
Energy at 0K	-190.589850
Energy at 298.15K	-190.596535
Nuclear repulsion energy	122.129072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3516	3104	0.06
2	A	3500	3090	0.09
3	A	3484	3076	2.09
4	A	3385	2989	4.22
5	A	3338	2947	1.42
6	A	3334	2944	0.28
7	A	1678	1482	2.65
8	A	1667	1472	4.17
9	A	1653	1460	2.39
10	A	1568	1384	5.74
11	A	1536	1356	7.37
12	A	1358	1199	2.00
13	A	1272	1123	0.25
14	A	1235	1091	4.55
15	A	1210	1069	4.02
16	A	1167	1030	7.33
17	A	1126	994	2.06
18	A	1080	954	4.04
19	A	984	869	1.93
20	A	972	858	1.65
21	A	875	773	2.03
22	A	404	357	1.88
23	A	364	322	1.46
24	A	172	152	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	0.871	-0.805	-0.244
C2	-1.543	0.095	-0.155
H3	-1.448	0.247	-1.238
H4	-2.152	-0.802	0.022
H5	-2.067	0.959	0.279
C6	-0.159	-0.059	0.491
H7	-0.184	-0.246	1.580
C8	1.050	0.639	-0.062
H9	0.945	1.268	-0.961
H10	1.855	0.958	0.621

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5775	2.7328	3.0342	3.4659	1.4682	2.1798	1.4665	2.1944	2.1961
C2	2.5775		1.0976	1.0989	1.0993	1.5347	2.2300	2.6505	2.8657	3.5903
H3	2.7328	1.0976		1.7844	1.7860	2.1775	3.1273	2.7880	2.6155	3.8556
H4	3.0342	1.0989	1.7844		1.7820	2.1776	2.5707	3.5120	3.8522	4.4171
H5	3.4659	1.0993	1.7860	1.7820		2.1729	2.5868	3.1510	3.2711	3.9366
C6	1.4682	1.5347	2.1775	2.1776	2.1729		1.1056	1.5015	2.2557	2.2602
H7	2.1798	2.2300	3.1273	2.5707	2.5868	1.1056		2.2364	3.1662	2.5550
C8	1.4665	2.6505	2.7880	3.5120	3.1510	1.5015	2.2364		1.1025	1.1026
H9	2.1944	2.8657	2.6155	3.8522	3.2711	2.2557	3.1662	1.1025		1.8514
H10	2.1961	3.5903	3.8556	4.4171	3.9366	2.2602	2.5550	1.1026	1.8514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	118.241	O1	C6	H7	115.026
O1	C6	C8	59.172	O1	C8	C6	59.284
O1	C8	H9	116.633	O1	C8	H10	116.773
C2	C6	H7	114.279	C2	C6	C8	121.613
H3	C2	H4	108.651	H3	C2	H5	108.767
H3	C2	C6	110.528	H4	C2	H5	108.315
H4	C2	C6	110.460	H5	C2	C6	110.063
C6	O1	C8	61.544	C6	C8	H9	119.263
C6	C8	H10	119.662	H7	C6	C8	117.338
H9	C8	H10	114.200

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

using model chemistry: B1B95/STO-3G

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	-0.174
2	C	-0.234
3	H	0.087
4	H	0.086
5	H	0.086
6	C	-0.005
7	H	0.082
8	C	-0.096
9	H	0.084
10	H	0.085

	x	y	z	Total
	-0.663	1.095	0.426	1.349
CHELPG
AIM
ESP

	x	y	z
x	3.260	0.416	-0.196
y	0.416	2.365	-0.191
z	-0.196	-0.191	2.407

<r²>	76.308
(<r²>)^1/2	8.735

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

using model chemistry: B1B95/STO-3G

States and conformations

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