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	hartrees
Energy at 0K	-192.774776
Energy at 298.15K
HF Energy	-191.983945
Nuclear repulsion energy	124.952316

Atom	x (Å)	y (Å)	z (Å)
O1	0.823	-0.787	-0.243
C2	-1.503	0.099	-0.149
H3	-1.401	0.335	-1.209
H4	-2.064	-0.832	-0.055
H5	-2.073	0.894	0.337
C6	-0.152	-0.037	0.489
H7	-0.151	-0.262	1.552
C8	1.037	0.616	-0.059
H9	0.945	1.215	-0.958
H10	1.867	0.871	0.590

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4906	2.6712	2.8935	3.3982	1.4312	2.1088	1.4312	2.1288	2.1289
C2	2.4906		1.0904	1.0912	1.0918	1.5005	2.2023	2.5933	2.8087	3.5353
H3	2.6712	1.0904		1.7700	1.7753	2.1405	3.0884	2.7097	2.5172	3.7683
H4	2.8935	1.0912	1.7700		1.7691	2.1411	2.5624	3.4224	3.7492	4.3325
H5	3.3982	1.0918	1.7753	1.7691		2.1407	2.5508	3.1475	3.2998	3.9489
C6	1.4312	1.5005	2.1405	2.1411	2.1407		1.0860	1.4630	2.2059	2.2162
H7	2.1088	2.2023	3.0884	2.5624	2.5508	1.0860		2.1855	3.1117	2.5067
C8	1.4312	2.5933	2.7097	3.4224	3.1475	1.4630	2.1855		1.0845	1.0838
H9	2.1288	2.8087	2.5172	3.7492	3.2998	2.2059	3.1117	1.0845		1.8346
H10	2.1289	3.5353	3.7683	4.3325	3.9489	2.2162	2.5067	1.0838	1.8346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.300	O1	C6	H7	113.098
O1	C6	C8	59.262	O1	C8	C6	59.264
O1	C8	H9	114.905	O1	C8	H10	114.959
C2	C6	H7	115.820	C2	C6	C8	122.102
H3	C2	H4	108.457	H3	C2	H5	108.891
H3	C2	C6	110.413	H4	C2	H5	108.269
H4	C2	C6	110.411	H5	C2	C6	110.339
C6	O1	C8	61.475	C6	C8	H9	119.224
C6	C8	H10	120.228	H7	C6	C8	117.288
H9	C8	H10	115.579

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVTZ

States and conformations

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