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	hartrees
Energy at 0K	-192.821317
Energy at 298.15K	-192.828316
HF Energy	-191.981975
Nuclear repulsion energy	125.615051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3223	3056	24.95
2	A	3168	3004	31.20
3	A	3151	2987	29.21
4	A	3141	2978	2.47
5	A	3135	2973	18.25
6	A	3078	2918	15.34
7	A	1577	1495	6.71
8	A	1530	1451	5.52
9	A	1515	1437	4.62
10	A	1486	1409	17.81
11	A	1430	1356	3.60
12	A	1329	1260	4.89
13	A	1225	1161	1.70
14	A	1199	1137	3.70
15	A	1197	1135	0.49
16	A	1161	1101	6.17
17	A	1071	1015	10.09
18	A	1009	957	13.43
19	A	930	882	2.40
20	A	890	844	37.38
21	A	807	765	5.69
22	A	418	396	5.19
23	A	376	356	3.01
24	A	222	210	0.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.819	-0.784	-0.241
C2	-1.494	0.098	-0.148
H3	-1.389	0.327	-1.205
H4	-2.056	-0.827	-0.051
H5	-2.060	0.894	0.329
C6	-0.151	-0.037	0.488
H7	-0.151	-0.253	1.546
C8	1.031	0.613	-0.061
H9	0.934	1.212	-0.954
H10	1.853	0.874	0.588

	O1	C2	H3	H4	H5	C6	H7	C8	H9	H10
O1		2.4777	2.6534	2.8811	3.3814	1.4242	2.1014	1.4252	2.1226	2.1228
C2	2.4777		1.0858	1.0867	1.0873	1.4927	2.1900	2.5790	2.7897	3.5139
H3	2.6534	1.0858		1.7627	1.7678	2.1285	3.0712	2.6925	2.4981	3.7447
H4	2.8811	1.0867	1.7627		1.7628	2.1311	2.5503	3.4063	3.7290	4.3102
H5	3.3814	1.0873	1.7678	1.7628		2.1309	2.5376	3.1289	3.2728	3.9219
C6	1.4242	1.4927	2.1285	2.1311	2.1309		1.0798	1.4564	2.1939	2.2035
H7	2.1014	2.1900	3.0712	2.5503	2.5376	1.0798		2.1747	3.0934	2.4911
C8	1.4252	2.5790	2.6925	3.4063	3.1289	1.4564	2.1747		1.0794	1.0786
H9	2.1226	2.7897	2.4981	3.7290	3.2728	2.1939	3.0934	1.0794		1.8262
H10	2.1228	3.5139	3.7447	4.3102	3.9219	2.2035	2.4911	1.0786	1.8262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C6	C2	116.279	O1	C6	H7	113.397
O1	C6	C8	59.297	O1	C8	C6	59.227
O1	C8	H9	115.177	O1	C8	H10	115.253
C2	C6	H7	115.779	C2	C6	C8	121.969
H3	C2	H4	108.464	H3	C2	H5	108.878
H3	C2	C6	110.274	H4	C2	H5	108.358
H4	C2	C6	110.433	H5	C2	C6	110.377
C6	O1	C8	61.477	C6	C8	H9	119.054
C6	C8	H10	120.007	H7	C6	C8	117.292
H9	C8	H10	115.610

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for C3H6O (Propylene oxide)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

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