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	hartrees
Energy at 0K	-191.968318
Energy at 298.15K	-191.975136
Nuclear repulsion energy	122.673070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3097	26.96
2	A	3163	3041	24.70
3	A	3140	3018	3.66
4	A	3128	3006	11.72
5	A	3126	3005	17.32
6	A	3059	2941	13.26
7	A	1557	1497	7.57
8	A	1555	1495	2.97
9	A	1541	1482	6.70
10	A	1458	1402	14.27
11	A	1428	1373	9.32
12	A	1255	1207	3.03
13	A	1201	1154	2.81
14	A	1156	1111	1.94
15	A	1130	1086	12.02
16	A	1111	1068	7.76
17	A	1020	980	4.89
18	A	972	934	9.80
19	A	913	878	0.35
20	A	819	787	21.84
21	A	751	722	4.34
22	A	405	389	1.20
23	A	348	335	8.42
24	A	194	186	0.51

Atom	x (Å)	y (Å)	z (Å)
O1	0.856	-0.830	-0.220
C2	-1.505	0.082	-0.160
H3	-1.367	0.212	-1.239
H4	-2.087	-0.833	0.003
H5	-2.075	0.932	0.233
C6	-0.163	-0.014	0.514
H7	-0.164	-0.174	1.590
C8	1.022	0.652	-0.084
H9	0.890	1.218	-1.004
H10	1.838	0.970	0.559

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5314	2.6583	2.9516	3.4496	1.4973	2.1788	1.4973	2.1931	2.1930
C2	2.5314		1.0948	1.0962	1.0969	1.5046	2.2200	2.5914	2.7822	3.5329
H3	2.6583	1.0948		1.7751	1.7850	2.1383	3.0985	2.6895	2.4830	3.7523
H4	2.9516	1.0962	1.7751		1.7798	2.1522	2.5792	3.4464	3.7530	4.3548
H5	3.4496	1.0969	1.7850	1.7798		2.1515	2.5917	3.1254	3.2257	3.9266
C6	1.4973	1.5046	2.1383	2.1522	2.1515		1.0883	1.4854	2.2208	2.2306
H7	2.1788	2.2200	3.0985	2.5792	2.5917	1.0883		2.2122	3.1271	2.5258
C8	1.4973	2.5914	2.6895	3.4464	3.1254	1.4854	2.2122		1.0873	1.0868
H9	2.1931	2.7822	2.4830	3.7530	3.2257	2.2208	3.1271	1.0873		1.8443
H10	2.1930	3.5329	3.7523	4.3548	3.9266	2.2306	2.5258	1.0868	1.8443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	114.975	O1	C6	H7	113.904
O1	C6	C8	60.264	O1	C8	C6	60.262
O1	C8	H9	115.182	O1	C8	H10	115.201
C2	C6	H7	116.872	C2	C6	C8	120.148
H3	C2	H4	108.230	H3	C2	H5	109.060
H3	C2	C6	109.683	H4	C2	H5	108.491
H4	C2	C6	110.711	H5	C2	C6	110.610
C6	O1	C8	59.474	C6	C8	H9	118.537
C6	C8	H10	119.457	H7	C6	C8	117.698
H9	C8	H10	116.043

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

using model chemistry: B3PW91/3-21G

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	-0.430
2	C	-0.631
3	H	0.230
4	H	0.232
5	H	0.216
6	C	-0.069
7	H	0.228
8	C	-0.226
9	H	0.223
10	H	0.226

	x	y	z	Total
	-1.010	1.955	0.699	2.309
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	75.803
(<r²>)^1/2	8.706

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

using model chemistry: B3PW91/3-21G

States and conformations

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