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	hartrees
Energy at 0K	-36.442091
Energy at 298.15K	-36.448938
Nuclear repulsion energy	69.620954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3070	48.48
2	A	3173	3037	39.59
3	A	3156	3021	31.23
4	A	3139	3005	18.66
5	A	3118	2984	40.67
6	A	3078	2946	21.03
7	A	1543	1477	11.51
8	A	1488	1425	7.98
9	A	1474	1411	6.00
10	A	1445	1384	18.35
11	A	1389	1330	5.31
12	A	1292	1237	3.80
13	A	1175	1124	3.40
14	A	1158	1108	5.49
15	A	1147	1098	1.11
16	A	1119	1071	9.62
17	A	1031	987	20.65
18	A	1004	961	10.94
19	A	894	855	11.95
20	A	880	843	29.45
21	A	807	773	6.99
22	A	393	377	5.41
23	A	354	339	3.05
24	A	209	200	0.48

Atom	x (Å)	y (Å)	z (Å)
O1	0.824	-0.779	-0.265
C2	-1.518	0.109	-0.148
H3	-1.412	0.376	-1.210
H4	-2.094	-0.829	-0.082
H5	-2.093	0.902	0.361
C6	-0.153	-0.059	0.497
H7	-0.151	-0.316	1.564
C8	1.055	0.615	-0.048
H9	0.959	1.251	-0.938
H10	1.897	0.854	0.615

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.5084	2.6890	2.9249	3.4247	1.4338	2.1241	1.4303	2.1432	2.1431
C2	2.5084		1.1007	1.1023	1.1033	1.5194	2.2324	2.6246	2.8402	3.5781
H3	2.6890	1.1007		1.7860	1.7912	2.1655	3.1256	2.7375	2.5420	3.8091
H4	2.9249	1.1023	1.7860		1.7861	2.1673	2.5984	3.4647	3.7922	4.3873
H5	3.4247	1.1033	1.7912	1.7861		2.1688	2.5891	3.1871	3.3352	3.9983
C6	1.4338	1.5194	2.1655	2.1673	2.1688		1.0978	1.4867	2.2385	2.2471
H7	2.1241	2.2324	3.1256	2.5984	2.5891	1.0978		2.2181	3.1540	2.5423
C8	1.4303	2.6246	2.7375	3.4647	3.1871	1.4867	2.2181		1.0977	1.0979
H9	2.1432	2.8402	2.5420	3.7922	3.3352	2.2385	3.1540	1.0977		1.8569
H10	2.1431	3.5781	3.8091	4.3873	3.9983	2.2471	2.5423	1.0979	1.8569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.254	O1	C6	H7	113.409
O1	C6	C8	58.612	O1	C8	C6	58.847
O1	C8	H9	115.309	O1	C8	H10	115.290
C2	C6	H7	116.140	C2	C6	C8	121.634
H3	C2	H4	108.342	H3	C2	H5	108.723
H3	C2	C6	110.468	H4	C2	H5	108.156
H4	C2	C6	110.515	H5	C2	C6	110.564
C6	O1	C8	62.541	C6	C8	H9	119.264
C6	C8	H10	120.028	H7	C6	C8	117.447
H9	C8	H10	115.492

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

using model chemistry: B1B95/CEP-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	-0.217
2	C	-0.433
3	H	0.170
4	H	0.156
5	H	0.136
6	C	-0.045
7	H	0.223
8	C	-0.347
9	H	0.186
10	H	0.170

	x	y	z	Total
	-0.899	1.720	0.775	2.090
CHELPG
AIM
ESP

	x	y	z
x	5.786	0.471	-0.180
y	0.471	4.408	-0.227
z	-0.180	-0.227	4.394

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G*

States and conformations

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