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	hartrees
Energy at 0K	-35.613255
Energy at 298.15K	-35.620353
Nuclear repulsion energy	70.396881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3364	3039	49.88
2	A	3298	2980	60.42
3	A	3272	2956	55.05
4	A	3267	2951	4.51
5	A	3253	2939	48.63
6	A	3187	2879	32.25
7	A	1675	1514	9.25
8	A	1627	1469	4.80
9	A	1614	1458	3.08
10	A	1582	1429	15.99
11	A	1527	1380	7.60
12	A	1397	1262	5.93
13	A	1306	1180	10.11
14	A	1285	1161	2.36
15	A	1264	1142	5.86
16	A	1231	1112	9.20
17	A	1135	1025	8.08
18	A	1066	963	26.13
19	A	980	886	3.55
20	A	938	848	59.73
21	A	847	766	8.90
22	A	435	393	6.25
23	A	391	353	4.06
24	A	219	197	0.64

Atom	x (Å)	y (Å)	z (Å)
O1	0.820	-0.762	-0.339
C2	-1.495	0.129	-0.118
H3	-1.410	0.482	-1.140
H4	-2.068	-0.794	-0.121
H5	-2.042	0.867	0.464
C6	-0.125	-0.105	0.483
H7	-0.121	-0.460	1.504
C8	1.073	0.588	0.004
H9	0.995	1.288	-0.814
H10	1.913	0.741	0.664

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4903	2.6762	2.8968	3.3901	1.4144	2.0921	1.4153	2.1114	2.1120
C2	2.4903		1.0855	1.0869	1.0877	1.5139	2.2057	2.6108	2.8334	3.5494
H3	2.6762	1.0855		1.7613	1.7672	2.1521	3.0894	2.7358	2.5576	3.7903
H4	2.8968	1.0869	1.7613		1.7618	2.1486	2.5586	3.4336	3.7685	4.3386
H5	3.3901	1.0877	1.7672	1.7618		2.1499	2.5563	3.1608	3.3220	3.9622
C6	1.4144	1.5139	2.1521	2.1486	2.1499		1.0815	1.4636	2.2083	2.2138
H7	2.0921	2.2057	3.0894	2.5586	2.5563	1.0815		2.1843	3.1105	2.5067
C8	1.4153	2.6108	2.7358	3.4336	3.1608	1.4636	2.1843		1.0800	1.0795
H9	2.1114	2.8334	2.5576	3.7685	3.3220	2.2083	3.1105	1.0800		1.8240
H10	2.1120	3.5494	3.7903	4.3386	3.9622	2.2138	2.5067	1.0795	1.8240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.473	O1	C6	H7	113.231
O1	C6	C8	58.884	O1	C8	C6	58.822
O1	C8	H9	114.935	O1	C8	H10	115.012
C2	C6	H7	115.383	C2	C6	C8	122.514
H3	C2	H4	108.337	H3	C2	H5	108.816
H3	C2	C6	110.689	H4	C2	H5	108.225
H4	C2	C6	110.327	H5	C2	C6	110.378
C6	O1	C8	62.294	C6	C8	H9	119.740
C6	C8	H10	120.284	H7	C6	C8	117.448
H9	C8	H10	115.266

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

using model chemistry: HF/CEP-121G*

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	-0.419
2	C	-0.563
3	H	0.175
4	H	0.171
5	H	0.156
6	C	0.194
7	H	0.175
8	C	-0.209
9	H	0.161
10	H	0.158

	x	y	z	Total
	-0.858	1.835	1.052	2.282
CHELPG
AIM
ESP

	x	y	z
x	5.879	0.503	-0.157
y	0.503	4.712	-0.247
z	-0.157	-0.247	4.714

<r²>	63.897
(<r²>)^1/2	7.994

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

using model chemistry: HF/CEP-121G*

States and conformations

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