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	hartrees
Energy at 0K	-192.971285
Energy at 298.15K	-192.978222
HF Energy	-192.971285
Nuclear repulsion energy	125.375611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3060	29.35
2	A	3138	3016	29.64
3	A	3119	2997	17.60
4	A	3111	2990	12.42
5	A	3096	2975	28.57
6	A	3048	2930	15.83
7	A	1538	1478	9.26
8	A	1492	1434	6.37
9	A	1476	1419	6.03
10	A	1447	1391	20.25
11	A	1398	1344	4.40
12	A	1306	1255	5.68
13	A	1191	1144	1.42
14	A	1171	1125	4.54
15	A	1161	1116	0.55
16	A	1134	1090	7.83
17	A	1047	1006	13.78
18	A	1000	961	13.86
19	A	910	875	3.54
20	A	878	843	36.64
21	A	802	771	6.20
22	A	411	395	4.91
23	A	368	354	3.09
24	A	213	205	0.40

Atom	x (Å)	y (Å)	z (Å)
O1	0.820	-0.766	-0.278
C2	-1.496	0.106	-0.144
H3	-1.356	0.170	-1.222
H4	-2.180	-0.716	0.073
H5	-1.949	1.033	0.212
C6	-0.150	-0.085	0.500
H7	-0.127	-0.342	1.555
C8	1.025	0.632	-0.036
H9	0.899	1.242	-0.921
H10	1.876	0.821	0.606

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4788	2.5508	3.0211	3.3384	1.4182	2.1066	1.4326	2.1096	2.1006
C2	2.4788		1.0889	1.0913	1.0916	1.5047	2.2284	2.5777	2.7625	3.5281
H3	2.5508	1.0889		1.7724	1.7758	2.1185	3.0807	2.7003	2.5151	3.7705
H4	3.0211	1.0913	1.7724		1.7705	2.1683	2.5600	3.4785	3.7819	4.3702
H5	3.3384	1.0916	1.7758	1.7705		2.1374	2.6489	3.0110	3.0722	3.8511
C6	1.4182	1.5047	2.1185	2.1683	2.1374		1.0863	1.4770	2.2097	2.2219
H7	2.1066	2.2284	3.0807	2.5600	2.6489	1.0863		2.1925	3.1141	2.5031
C8	1.4326	2.5777	2.7003	3.4785	3.0110	1.4770	2.1925		1.0831	1.0828
H9	2.1096	2.7625	2.5151	3.7819	3.0722	2.2097	3.1141	1.0831		1.8618
H10	2.1006	3.5281	3.7705	4.3702	3.8511	2.2219	2.5031	1.0828	1.8618

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	115.975	O1	C6	H7	113.867
O1	C6	C8	59.274	O1	C8	C6	58.317
O1	C8	H9	113.249	O1	C8	H10	112.511
C2	C6	H7	117.738	C2	C6	C8	119.649
H3	C2	H4	108.770	H3	C2	H5	109.052
H3	C2	C6	108.468	H4	C2	H5	108.402
H4	C2	C6	112.302	H5	C2	C6	109.795
C6	O1	C8	62.409	C6	C8	H9	118.532
C6	C8	H10	119.663	H7	C6	C8	116.774
H9	C8	H10	118.549

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	O	-0.289
2	C	-0.268
3	H	0.098
4	H	0.103
5	H	0.091
6	C	0.053
7	H	0.093
8	C	-0.047
9	H	0.078
10	H	0.087

	x	y	z	Total
	-0.813	1.563	0.656	1.880
CHELPG
AIM
ESP

	x	y	z
x	6.527	0.452	-0.108
y	0.452	5.132	-0.203
z	-0.108	-0.203	5.239

<r²>	74.223
(<r²>)^1/2	8.615

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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