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	hartrees
Energy at 0K	-192.773040
Energy at 298.15K
HF Energy	-191.984094
Nuclear repulsion energy	125.019658

Atom	x (Å)	y (Å)	z (Å)
O1	0.822	-0.786	-0.244
C2	-1.502	0.100	-0.149
H3	-1.400	0.337	-1.208
H4	-2.064	-0.831	-0.056
H5	-2.072	0.894	0.338
C6	-0.152	-0.038	0.489
H7	-0.151	-0.264	1.551
C8	1.037	0.616	-0.058
H9	0.945	1.215	-0.957
H10	1.867	0.869	0.591

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4894	2.6699	2.8927	3.3966	1.4299	2.1077	1.4299	2.1277	2.1278
C2	2.4894		1.0901	1.0910	1.0915	1.5002	2.2020	2.5930	2.8081	3.5345
H3	2.6699	1.0901		1.7697	1.7749	2.1401	3.0878	2.7092	2.5165	3.7673
H4	2.8927	1.0910	1.7697		1.7688	2.1406	2.5621	3.4219	3.7484	4.3316
H5	3.3966	1.0915	1.7749	1.7688		2.1403	2.5503	3.1470	3.2988	3.9478
C6	1.4299	1.5002	2.1401	2.1406	2.1403		1.0857	1.4631	2.2056	2.2158
H7	2.1077	2.2020	3.0878	2.5621	2.5503	1.0857		2.1852	3.1110	2.5060
C8	1.4299	2.5930	2.7092	3.4219	3.1470	1.4631	2.1852		1.0842	1.0835
H9	2.1277	2.8081	2.5165	3.7484	3.2988	2.2056	3.1110	1.0842		1.8343
H10	2.1278	3.5345	3.7673	4.3316	3.9478	2.2158	2.5060	1.0835	1.8343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.313	O1	C6	H7	113.124
O1	C6	C8	59.230	O1	C8	C6	59.226
O1	C8	H9	114.930	O1	C8	H10	114.989
C2	C6	H7	115.832	C2	C6	C8	122.088
H3	C2	H4	108.457	H3	C2	H5	108.890
H3	C2	C6	110.412	H4	C2	H5	108.272
H4	C2	C6	110.405	H5	C2	C6	110.345
C6	O1	C8	61.544	C6	C8	H9	119.212
C6	C8	H10	120.205	H7	C6	C8	117.276
H9	C8	H10	115.592

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

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

States and conformations

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