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	hartrees
Energy at 0K	-192.966498
Energy at 298.15K	-192.973204
Nuclear repulsion energy	121.296785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3133	3109	40.73
2	A	3067	3043	45.32
3	A	3047	3024	10.23
4	A	3042	3019	17.09
5	A	3032	3009	24.48
6	A	2968	2945	22.50
7	A	1508	1497	2.33
8	A	1504	1493	5.31
9	A	1491	1480	4.69
10	A	1423	1412	6.37
11	A	1398	1388	12.72
12	A	1242	1233	2.10
13	A	1172	1163	1.79
14	A	1122	1114	4.61
15	A	1108	1100	3.67
16	A	1078	1070	5.36
17	A	996	989	3.71
18	A	934	927	6.85
19	A	870	864	0.96
20	A	766	761	30.92
21	A	657	652	9.20
22	A	398	395	2.62
23	A	345	343	6.82
24	A	202	200	0.52

Atom	x (Å)	y (Å)	z (Å)
O1	-0.874	0.844	-0.207
C2	1.530	-0.077	-0.161
H3	1.426	-0.228	-1.248
H4	2.097	0.855	0.004
H5	2.121	-0.913	0.255
C6	0.169	-0.005	0.503
H7	0.175	0.156	1.588
C8	-1.036	-0.659	-0.087
H9	-0.943	-1.204	-1.032
H10	-1.858	-0.983	0.560

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5749	2.7432	2.9791	3.5033	1.5209	2.1904	1.5165	2.2093	2.2124
C2	2.5749		1.1020	1.1034	1.1054	1.5157	2.2251	2.6325	2.8536	3.5802
H3	2.7432	1.1020		1.7856	1.7919	2.1667	3.1237	2.7566	2.5715	3.8243
H4	2.9791	1.1034	1.7856		1.7858	2.1693	2.5878	3.4814	3.8151	4.3968
H5	3.5033	1.1054	1.7919	1.7858		2.1671	2.5900	3.1862	3.3361	3.9913
C6	1.5209	1.5157	2.1667	2.1693	2.1671		1.0974	1.4930	2.2429	2.2515
H7	2.1904	2.2251	3.1237	2.5878	2.5900	1.0974		2.2219	3.1567	2.5467
C8	1.5165	2.6325	2.7566	3.4814	3.1862	1.4930	2.2219		1.0952	1.0948
H9	2.2093	2.8536	2.5715	3.8151	3.3361	2.2429	3.1567	1.0952		1.8497
H10	2.2124	3.5802	3.8243	4.3968	3.9913	2.2515	2.5467	1.0948	1.8497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	115.979	O1	C6	H7	112.553
O1	C6	C8	60.410	O1	C8	C6	60.708
O1	C8	H9	114.579	O1	C8	H10	114.869
C2	C6	H7	115.830	C2	C6	C8	122.077
H3	C2	H4	108.129	H3	C2	H5	108.544
H3	C2	C6	110.739	H4	C2	H5	107.901
H4	C2	C6	110.862	H5	C2	C6	110.566
C6	O1	C8	58.882	C6	C8	H9	119.337
C6	C8	H10	120.153	H7	C6	C8	117.312
H9	C8	H10	115.258

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	-0.434
2	C	-0.368
3	H	0.136
4	H	0.142
5	H	0.127
6	C	0.075
7	H	0.126
8	C	-0.069
9	H	0.133
10	H	0.133

	x	y	z	Total
	1.105	-2.029	0.683	2.409
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	77.672
(<r²>)^1/2	8.813

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)