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	hartrees
Energy at 0K	-192.988846
Energy at 298.15K	-192.995678
HF Energy	-192.988846
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3110	3049	55.09
2	A	3081	3021	32.64
3	A	3060	3000	28.33
4	A	3039	2979	25.43
5	A	3029	2969	39.87
6	A	2991	2933	24.67
7	A	1528	1498	5.06
8	A	1500	1471	4.53
9	A	1486	1457	3.36
10	A	1430	1402	21.11
11	A	1399	1372	4.93
12	A	1279	1254	3.49
13	A	1172	1149	1.00
14	A	1145	1123	5.31
15	A	1128	1106	2.10
16	A	1113	1092	5.66
17	A	1023	1003	7.24
18	A	964	945	15.40
19	A	895	878	3.95
20	A	843	826	32.98
21	A	766	751	8.31
22	A	407	399	3.95
23	A	358	351	3.55
24	A	211	207	0.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.833	-0.793	-0.243
C2	-1.515	0.099	-0.150
H3	-1.416	0.336	-1.218
H4	-2.083	-0.838	-0.056
H5	-2.094	0.898	0.338
C6	-0.153	-0.038	0.491
H7	-0.157	-0.254	1.568
C8	1.044	0.619	-0.061
H9	0.951	1.228	-0.968
H10	1.876	0.891	0.598

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5128	2.6988	2.9219	3.4297	1.4422	2.1323	1.4391	2.1500	2.1521
C2	2.5128		1.0987	1.1002	1.1010	1.5112	2.2174	2.6124	2.8327	3.5613
H3	2.6988	1.0987		1.7815	1.7875	2.1580	3.1134	2.7333	2.5420	3.8007
H4	2.9219	1.1002	1.7815		1.7809	2.1600	2.5861	3.4499	3.7823	4.3695
H5	3.4297	1.1010	1.7875	1.7809		2.1606	2.5678	3.1756	3.3298	3.9786
C6	1.4422	1.5112	2.1580	2.1600	2.1606		1.0980	1.4727	2.2248	2.2340
H7	2.1323	2.2174	3.1134	2.5861	2.5678	1.0980		2.2039	3.1390	2.5266
C8	1.4391	2.6124	2.7333	3.4499	3.1756	1.4727	2.2039		1.0962	1.0959
H9	2.1500	2.8327	2.5420	3.7823	3.3298	2.2248	3.1390	1.0962		1.8499
H10	2.1521	3.5613	3.8007	4.3695	3.9786	2.2340	2.5266	1.0959	1.8499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.517	O1	C6	H7	113.424
O1	C6	C8	59.154	O1	C8	C6	59.353
O1	C8	H9	115.224	O1	C8	H10	115.383
C2	C6	H7	115.552	C2	C6	C8	122.230
H3	C2	H4	108.169	H3	C2	H5	108.677
H3	C2	C6	110.540	H4	C2	H5	107.995
H4	C2	C6	110.661	H5	C2	C6	110.711
C6	O1	C8	61.493	C6	C8	H9	119.334
C6	C8	H10	120.228	H7	C6	C8	117.236
H9	C8	H10	115.124

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

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	O	-0.426
2	C	-0.477
3	H	0.163
4	H	0.166
5	H	0.154
6	C	0.098
7	H	0.144
8	C	-0.120
9	H	0.149
10	H	0.150

	x	y	z	Total
	-0.838	1.582	0.638	1.900
CHELPG
AIM
ESP

	x	y	z
x	5.972	0.536	-0.116
y	0.536	4.554	-0.271
z	-0.116	-0.271	4.757

<r²>	75.325
(<r²>)^1/2	8.679

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

using model chemistry: B97D3/6-31G*

States and conformations

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