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	hartrees
Energy at 0K	-193.080793
Energy at 298.15K	-193.087701
Nuclear repulsion energy	124.949426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3056	42.97
2	A	3129	3013	40.40
3	A	3109	2993	24.85
4	A	3103	2987	14.66
5	A	3086	2971	34.33
6	A	3041	2928	21.23
7	A	1547	1489	7.22
8	A	1510	1454	7.58
9	A	1496	1440	6.76
10	A	1455	1400	22.58
11	A	1411	1358	4.80
12	A	1307	1259	5.88
13	A	1191	1147	0.93
14	A	1170	1127	5.31
15	A	1152	1109	1.97
16	A	1136	1094	7.25
17	A	1047	1008	12.34
18	A	992	955	15.75
19	A	912	878	2.76
20	A	865	833	41.00
21	A	793	763	6.70
22	A	410	395	4.72
23	A	366	352	3.70
24	A	211	203	0.52

Atom	x (Å)	y (Å)	z (Å)
O1	0.823	-0.782	-0.246
C2	-1.505	0.101	-0.146
H3	-1.413	0.334	-1.210
H4	-2.075	-0.828	-0.053
H5	-2.080	0.898	0.336
C6	-0.151	-0.041	0.486
H7	-0.149	-0.269	1.553
C8	1.041	0.612	-0.057
H9	0.952	1.220	-0.956
H10	1.870	0.868	0.600

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4919	2.6785	2.9047	3.4042	1.4269	2.1089	1.4238	2.1288	2.1302
C2	2.4919		1.0928	1.0941	1.0946	1.5006	2.2053	2.5981	2.8191	3.5408
H3	2.6785	1.0928		1.7687	1.7751	2.1468	3.0977	2.7252	2.5384	3.7868
H4	2.9047	1.0941	1.7687		1.7697	2.1471	2.5693	3.4325	3.7653	4.3438
H5	3.4042	1.0946	1.7751	1.7697		2.1501	2.5637	3.1582	3.3115	3.9589
C6	1.4269	1.5006	2.1468	2.1471	2.1501		1.0911	1.4641	2.2115	2.2197
H7	2.1089	2.2053	3.0977	2.5693	2.5637	1.0911		2.1877	3.1193	2.5060
C8	1.4238	2.5981	2.7252	3.4325	3.1582	1.4641	2.1877		1.0893	1.0889
H9	2.1288	2.8191	2.5384	3.7653	3.3115	2.2115	3.1193	1.0893		1.8410
H10	2.1302	3.5408	3.7868	4.3438	3.9589	2.2197	2.5060	1.0889	1.8410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.660	O1	C6	H7	113.081
O1	C6	C8	58.993	O1	C8	C6	59.202
O1	C8	H9	115.149	O1	C8	H10	115.299
C2	C6	H7	115.715	C2	C6	C8	122.403
H3	C2	H4	107.955	H3	C2	H5	108.486
H3	C2	C6	110.761	H4	C2	H5	107.910
H4	C2	C6	110.705	H5	C2	C6	110.913
C6	O1	C8	61.805	C6	C8	H9	119.297
C6	C8	H10	120.081	H7	C6	C8	117.032
H9	C8	H10	115.383

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

using model chemistry: B3PW91/6-311G*

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
1	O	-0.293
2	C	-0.658
3	H	0.227
4	H	0.232
5	H	0.222
6	C	-0.082
7	H	0.213
8	C	-0.291
9	H	0.214
10	H	0.215

	x	y	z	Total
	-0.819	1.651	0.690	1.967
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>	74.644
(<r²>)^1/2	8.640

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

using model chemistry: B3PW91/6-311G*

States and conformations

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