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	hartrees
Energy at 0K	-192.791962
Energy at 298.15K	-192.798933
HF Energy	-191.981409
Nuclear repulsion energy	125.497387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3086	18.81
2	A	3188	3027	28.84
3	A	3171	3010	7.77
4	A	3168	3008	11.76
5	A	3164	3004	17.58
6	A	3094	2937	13.08
7	A	1558	1480	4.87
8	A	1524	1447	6.40
9	A	1508	1432	5.26
10	A	1470	1395	19.12
11	A	1413	1342	4.27
12	A	1317	1250	3.99
13	A	1208	1147	0.43
14	A	1187	1127	3.53
15	A	1171	1112	0.53
16	A	1145	1087	5.17
17	A	1060	1006	9.94
18	A	992	942	11.15
19	A	921	875	1.69
20	A	876	832	37.40
21	A	792	752	5.72
22	A	414	393	4.76
23	A	373	354	3.35
24	A	224	213	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.821	-0.783	-0.240
C2	-1.492	0.097	-0.148
H3	-1.384	0.319	-1.204
H4	-2.054	-0.826	-0.044
H5	-2.055	0.897	0.325
C6	-0.149	-0.042	0.486
H7	-0.151	-0.244	1.547
C8	1.028	0.613	-0.063
H9	0.916	1.220	-0.949
H10	1.840	0.888	0.593

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4771	2.6474	2.8818	3.3787	1.4203	2.1047	1.4229	2.1273	2.1273
C2	2.4771		1.0847	1.0855	1.0860	1.4916	2.1883	2.5734	2.7755	3.5036
H3	2.6474	1.0847		1.7617	1.7667	2.1238	3.0672	2.6844	2.4839	3.7344
H4	2.8818	1.0855	1.7617		1.7619	2.1268	2.5479	3.4007	3.7182	4.3014
H5	3.3787	1.0860	1.7667	1.7619		2.1310	2.5343	3.1199	3.2492	3.9040
C6	1.4203	1.4916	2.1238	2.1268	2.1310		1.0809	1.4538	2.1874	2.1980
H7	2.1047	2.1883	3.0672	2.5479	2.5343	1.0809		2.1715	3.0844	2.4811
C8	1.4229	2.5734	2.6844	3.4007	3.1199	1.4538	2.1715		1.0798	1.0792
H9	2.1273	2.7755	2.4839	3.7182	3.2492	2.1874	3.0844	1.0798		1.8272
H10	2.1273	3.5036	3.7344	4.3014	3.9040	2.1980	2.4811	1.0792	1.8272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.554	O1	C6	H7	113.907
O1	C6	C8	59.336	O1	C8	C6	59.157
O1	C8	H9	115.745	O1	C8	H10	115.788
C2	C6	H7	115.649	C2	C6	C8	121.778
H3	C2	H4	108.545	H3	C2	H5	108.961
H3	C2	C6	110.048	H4	C2	H5	108.457
H4	C2	C6	110.240	H5	C2	C6	110.540
C6	O1	C8	61.507	C6	C8	H9	118.644
C6	C8	H10	119.659	H7	C6	C8	117.140
H9	C8	H10	115.634

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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