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	hartrees
Energy at 0K	-192.537947
Energy at 298.15K	-192.544865
HF Energy	-191.921140
Nuclear repulsion energy	124.277507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3253	3091	27.12
2	A	3205	3046	19.29
3	A	3189	3031	15.33
4	A	3166	3009	18.38
5	A	3148	2992	21.50
6	A	3091	2938	16.24
7	A	1549	1472	6.52
8	A	1498	1424	5.68
9	A	1483	1409	4.97
10	A	1457	1385	16.57
11	A	1397	1328	3.70
12	A	1301	1236	3.12
13	A	1190	1131	0.65
14	A	1172	1114	3.30
15	A	1154	1097	0.54
16	A	1131	1075	6.08
17	A	1044	992	9.35
18	A	989	940	9.69
19	A	910	865	2.25
20	A	871	828	33.06
21	A	787	748	5.09
22	A	408	388	4.21
23	A	367	349	3.65
24	A	214	203	0.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.825	-0.790	-0.247
C2	-1.506	0.101	-0.149
H3	-1.393	0.314	-1.223
H4	-2.087	-0.828	-0.041
H5	-2.076	0.920	0.321
C6	-0.153	-0.043	0.494
H7	-0.150	-0.263	1.570
C8	1.041	0.619	-0.060
H9	0.936	1.232	-0.962
H10	1.875	0.882	0.601

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4978	2.6632	2.9194	3.4148	1.4372	2.1290	1.4376	2.1478	2.1488
C2	2.4978		1.1003	1.1015	1.1020	1.5051	2.2201	2.6006	2.8115	3.5499
H3	2.6632	1.1003		1.7842	1.7926	2.1478	3.1114	2.7148	2.5172	3.7850
H4	2.9194	1.1015	1.7842		1.7851	2.1547	2.5821	3.4463	3.7726	4.3624
H5	3.4148	1.1020	1.7926	1.7851		2.1570	2.5826	3.1541	3.2885	3.9605
C6	1.4372	1.5051	2.1478	2.1547	2.1570		1.0986	1.4730	2.2209	2.2312
H7	2.1290	2.2201	3.1114	2.5821	2.5826	1.0986		2.2029	3.1351	2.5201
C8	1.4376	2.6006	2.7148	3.4463	3.1541	1.4730	2.2029		1.0963	1.0958
H9	2.1478	2.8115	2.5172	3.7726	3.2885	2.2209	3.1351	1.0963		1.8563
H10	2.1488	3.5499	3.7850	4.3624	3.9605	2.2312	2.5201	1.0958	1.8563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.177	O1	C6	H7	113.522
O1	C6	C8	59.189	O1	C8	C6	59.163
O1	C8	H9	115.258	O1	C8	H10	115.374
C2	C6	H7	116.137	C2	C6	C8	121.671
H3	C2	H4	108.259	H3	C2	H5	108.968
H3	C2	C6	110.079	H4	C2	H5	108.208
H4	C2	C6	110.557	H5	C2	C6	110.703
C6	O1	C8	61.648	C6	C8	H9	118.903
C6	C8	H10	119.876	H7	C6	C8	117.135
H9	C8	H10	115.739

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

using model chemistry: MP2=FULL/cc-pVDZ

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-pVDZ

States and conformations

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