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	hartrees
Energy at 0K	-193.154051
Energy at 298.15K	-193.160940
Nuclear repulsion energy	124.579229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3057	45.07
2	A	3113	3008	48.64
3	A	3091	2986	7.86
4	A	3090	2986	32.48
5	A	3078	2974	34.03
6	A	3032	2930	22.60
7	A	1544	1492	4.94
8	A	1515	1464	6.88
9	A	1501	1450	5.97
10	A	1451	1402	22.36
11	A	1419	1371	4.36
12	A	1300	1256	5.90
13	A	1191	1151	0.47
14	A	1168	1128	5.26
15	A	1150	1111	1.11
16	A	1136	1097	7.10
17	A	1046	1010	8.67
18	A	977	944	15.99
19	A	911	880	2.75
20	A	846	817	42.47
21	A	773	747	7.39
22	A	411	398	4.51
23	A	366	353	3.99
24	A	209	202	0.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.826	-0.788	-0.242
C2	-1.510	0.100	-0.147
H3	-1.418	0.327	-1.212
H4	-2.077	-0.830	-0.049
H5	-2.087	0.898	0.330
C6	-0.152	-0.036	0.488
H7	-0.151	-0.257	1.556
C8	1.044	0.615	-0.060
H9	0.957	1.217	-0.963
H10	1.873	0.875	0.595

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5008	2.6875	2.9096	3.4141	1.4340	2.1143	1.4318	2.1349	2.1362
C2	2.5008		1.0924	1.0938	1.0945	1.5053	2.2078	2.6062	2.8281	3.5486
H3	2.6875	1.0924		1.7681	1.7749	2.1509	3.0998	2.7333	2.5489	3.7943
H4	2.9096	1.0938	1.7681		1.7693	2.1504	2.5711	3.4389	3.7725	4.3499
H5	3.4141	1.0945	1.7749	1.7693		2.1542	2.5661	3.1673	3.3226	3.9685
C6	1.4340	1.5053	2.1509	2.1504	2.1542		1.0905	1.4676	2.2149	2.2228
H7	2.1143	2.2078	3.0998	2.5711	2.5661	1.0905		2.1911	3.1222	2.5106
C8	1.4318	2.6062	2.7333	3.4389	3.1673	1.4676	2.1911		1.0886	1.0882
H9	2.1349	2.8281	2.5489	3.7725	3.3226	2.2149	3.1222	1.0886		1.8391
H10	2.1362	3.5486	3.7943	4.3499	3.9685	2.2228	2.5106	1.0882	1.8391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.577	O1	C6	H7	113.050
O1	C6	C8	59.121	O1	C8	C6	59.272
O1	C8	H9	115.110	O1	C8	H10	115.250
C2	C6	H7	115.620	C2	C6	C8	122.481
H3	C2	H4	107.947	H3	C2	H5	108.505
H3	C2	C6	110.788	H4	C2	H5	107.899
H4	C2	C6	110.665	H5	C2	C6	110.927
C6	O1	C8	61.607	C6	C8	H9	119.371
C6	C8	H10	120.122	H7	C6	C8	117.097
H9	C8	H10	115.317

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	O	-0.303	-0.285
2	C	-0.622	-0.346
3	H	0.213	0.117
4	H	0.219	0.122
5	H	0.207	0.085
6	C	-0.050	0.144
7	H	0.203	0.083
8	C	-0.274	-0.188
9	H	0.203	0.147
10	H	0.204	0.121

	x	y	z	Total
	-0.816	1.677	0.696	1.991
CHELPG
AIM
ESP	-0.831	1.664	0.678	1.980

	x	y	z
x	6.184	0.524	-0.134
y	0.524	4.747	-0.242
z	-0.134	-0.242	4.905

<r²>	75.152
(<r²>)^1/2	8.669

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

using model chemistry: B3LYP/6-311G*

States and conformations

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