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	hartrees
Energy at 0K	-192.670848
Energy at 298.15K	-192.677789
HF Energy	-191.931386
Nuclear repulsion energy	124.919050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3234	3063	23.75
2	A	3180	3013	25.83
3	A	3162	2995	16.13
4	A	3158	2992	9.10
5	A	3143	2978	20.52
6	A	3085	2923	12.81
7	A	1565	1483	5.76
8	A	1528	1447	4.67
9	A	1514	1434	3.28
10	A	1476	1399	17.26
11	A	1429	1354	3.51
12	A	1319	1249	4.07
13	A	1212	1148	1.76
14	A	1189	1127	3.47
15	A	1186	1124	0.61
16	A	1154	1093	6.44
17	A	1063	1007	9.04
18	A	1002	949	12.47
19	A	921	873	2.52
20	A	886	840	32.12
21	A	802	760	5.28
22	A	408	387	4.05
23	A	370	351	3.56
24	A	211	200	0.47

Atom	x (Å)	y (Å)	z (Å)
O1	0.821	-0.786	-0.246
C2	-1.505	0.102	-0.148
H3	-1.403	0.339	-1.209
H4	-2.070	-0.829	-0.057
H5	-2.076	0.897	0.338
C6	-0.150	-0.040	0.490
H7	-0.150	-0.265	1.555
C8	1.041	0.614	-0.058
H9	0.949	1.220	-0.956
H10	1.871	0.870	0.593

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4908	2.6712	2.8975	3.4004	1.4285	2.1114	1.4291	2.1312	2.1327
C2	2.4908		1.0918	1.0928	1.0934	1.5041	2.2073	2.5979	2.8151	3.5408
H3	2.6712	1.0918		1.7713	1.7772	2.1449	3.0946	2.7147	2.5243	3.7749
H4	2.8975	1.0928	1.7713		1.7704	2.1466	2.5698	3.4292	3.7582	4.3410
H5	3.4004	1.0934	1.7772	1.7704		2.1471	2.5578	3.1545	3.3063	3.9557
C6	1.4285	1.5041	2.1449	2.1466	2.1471		1.0886	1.4653	2.2110	2.2194
H7	2.1114	2.2073	3.0946	2.5698	2.5578	1.0886		2.1897	3.1179	2.5100
C8	1.4291	2.5979	2.7147	3.4292	3.1545	1.4653	2.1897		1.0868	1.0863
H9	2.1312	2.8151	2.5243	3.7582	3.3063	2.2110	3.1179	1.0868		1.8365
H10	2.1327	3.5408	3.7749	4.3410	3.9557	2.2194	2.5100	1.0863	1.8365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.255	O1	C6	H7	113.347
O1	C6	C8	59.171	O1	C8	C6	59.130
O1	C8	H9	115.115	O1	C8	H10	115.283
C2	C6	H7	115.792	C2	C6	C8	122.055
H3	C2	H4	108.346	H3	C2	H5	108.842
H3	C2	C6	110.421	H4	C2	H5	108.156
H4	C2	C6	110.501	H5	C2	C6	110.506
C6	O1	C8	61.699	C6	C8	H9	119.329
C6	C8	H10	120.136	H7	C6	C8	117.289
H9	C8	H10	115.366

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

using model chemistry: QCISD/6-31G(2df,p)

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

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

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