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	hartrees
Energy at 0K	-193.062203
Energy at 298.15K	-193.069038
HF Energy	-193.062203
Nuclear repulsion energy	124.369435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3098	3058	38.57
2	A	3060	3020	35.03
3	A	3036	2997	24.40
4	A	3026	2987	18.00
5	A	3015	2975	36.82
6	A	2973	2934	23.01
7	A	1494	1475	5.65
8	A	1469	1450	5.82
9	A	1455	1436	5.04
10	A	1404	1386	23.07
11	A	1375	1357	3.01
12	A	1269	1252	5.60
13	A	1159	1144	0.70
14	A	1138	1123	3.71
15	A	1127	1112	1.52
16	A	1105	1090	6.66
17	A	1018	1005	8.78
18	A	952	939	15.41
19	A	888	877	3.81
20	A	832	821	40.42
21	A	756	746	7.92
22	A	405	400	3.80
23	A	361	356	3.76
24	A	204	201	0.34

Atom	x (Å)	y (Å)	z (Å)
O1	0.834	-0.790	-0.242
C2	-1.511	0.097	-0.149
H3	-1.419	0.331	-1.214
H4	-2.080	-0.834	-0.048
H5	-2.083	0.896	0.337
C6	-0.153	-0.037	0.487
H7	-0.155	-0.257	1.558
C8	1.040	0.620	-0.060
H9	0.948	1.220	-0.966
H10	1.869	0.886	0.597

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5087	2.6973	2.9199	3.4179	1.4392	2.1212	1.4360	2.1393	2.1408
C2	2.5087		1.0938	1.0955	1.0963	1.5058	2.2089	2.6055	2.8240	3.5502
H3	2.6973	1.0938		1.7756	1.7794	2.1520	3.1025	2.7315	2.5405	3.7943
H4	2.9199	1.0955	1.7756		1.7725	2.1520	2.5719	3.4413	3.7718	4.3546
H5	3.4179	1.0963	1.7794	1.7725		2.1486	2.5563	3.1596	3.3147	3.9599
C6	1.4392	1.5058	2.1520	2.1520	2.1486		1.0929	1.4677	2.2147	2.2256
H7	2.1212	2.2089	3.1025	2.5719	2.5563	1.0929		2.1935	3.1251	2.5149
C8	1.4360	2.6055	2.7315	3.4413	3.1596	1.4677	2.1935		1.0909	1.0905
H9	2.1393	2.8240	2.5405	3.7718	3.3147	2.2147	3.1251	1.0909		1.8444
H10	2.1408	3.5502	3.7943	4.3546	3.9599	2.2256	2.5149	1.0905	1.8444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.591	O1	C6	H7	113.097
O1	C6	C8	59.210	O1	C8	C6	59.419
O1	C8	H9	114.949	O1	C8	H10	114.942
C2	C6	H7	115.627	C2	C6	C8	122.287
H3	C2	H4	108.311	H3	C2	H5	108.697
H3	C2	C6	110.638	H4	C2	H5	107.990
H4	C2	C6	110.631	H5	C2	C6	110.492
C6	O1	C8	61.370	C6	C8	H9	119.301
C6	C8	H10	120.377	H7	C6	C8	117.205
H9	C8	H10	115.350

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.574
2	C	-0.346
3	H	0.110
4	H	0.115
5	H	0.126
6	C	0.302
7	H	0.092
8	C	-0.037
9	H	0.103
10	H	0.109

	x	y	z	Total
	-0.856	1.599	0.642	1.924
CHELPG
AIM
ESP

	x	y	z
x	7.121	0.348	-0.088
y	0.348	5.763	-0.094
z	-0.088	-0.094	5.774

<r²>	75.349
(<r²>)^1/2	8.680

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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