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	hartrees
Energy at 0K	-283.505067
Energy at 298.15K	-283.513876
Nuclear repulsion energy	238.820245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3074	0.31
2	A	3015	2961	24.76
3	A	3006	2952	25.33
4	A	3006	2952	0.43
5	A	1695	1665	94.77
6	A	1507	1479	4.77
7	A	1482	1455	5.28
8	A	1470	1444	12.47
9	A	1391	1366	45.07
10	A	1328	1304	18.89
11	A	1280	1257	0.14
12	A	1225	1202	101.39
13	A	1061	1041	2.43
14	A	965	948	51.98
15	A	924	907	0.65
16	A	905	889	37.47
17	A	873	857	19.45
18	A	737	724	9.10
19	A	665	653	3.56
20	A	322	317	5.82
21	A	3073	3018	23.75
22	A	3069	3014	1.20
23	A	3045	2990	0.33
24	A	1473	1446	16.24
25	A	1230	1208	0.08
26	A	1167	1146	0.01
27	A	1075	1056	3.91
28	A	1056	1037	4.94
29	A	813	798	0.33
30	A	569	559	2.80
31	A	232	228	14.30
32	A	128	126	1.76
33	A	109	107	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.346	2.128	0.000
C2	0.534	-1.525	0.000
C3	-1.002	-1.294	0.000
N4	-1.173	0.184	0.000
O5	1.102	-0.160	0.000
C6	0.000	0.697	0.000
H7	0.891	-2.046	0.903
H8	0.891	-2.046	-0.903
H9	-1.489	-1.716	0.895
H10	-1.489	-1.716	-0.895
H11	0.952	2.373	0.890
H12	0.952	2.373	-0.890
H13	-0.579	2.721	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6579	3.6781	2.4675	2.4098	1.4725	4.3057	4.3057	4.3530	4.3530	1.1041	1.1041	1.0986
C2	3.6579		1.5540	2.4157	1.4783	2.2852	1.1022	1.1022	2.2212	2.2212	4.0200	4.0200	4.3896
C3	3.6781	1.5540		1.4875	2.3904	2.2289	2.2287	2.2287	1.1033	1.1033	4.2493	4.2493	4.0374
N4	2.4675	2.4157	1.4875		2.3010	1.2805	3.1701	3.1701	2.1240	2.1240	3.1780	3.1780	2.6062
O5	2.4098	1.4783	2.3904	2.3010		1.3959	2.1020	2.1020	3.1525	3.1525	2.6890	2.6890	3.3356
C6	1.4725	2.2852	2.2289	1.2805	1.3959		3.0224	3.0224	2.9736	2.9736	2.1230	2.1230	2.1054
H7	4.3057	1.1022	2.2287	3.1701	2.1020	3.0224		1.8065	2.4031	3.0018	4.4197	4.7697	5.0700
H8	4.3057	1.1022	2.2287	3.1701	2.1020	3.0224	1.8065		3.0018	2.4031	4.7697	4.4197	5.0700
H9	4.3530	2.2212	1.1033	2.1240	3.1525	2.9736	2.4031	3.0018		1.7910	4.7622	5.0860	4.6174
H10	4.3530	2.2212	1.1033	2.1240	3.1525	2.9736	3.0018	2.4031	1.7910		5.0860	4.7622	4.6174
H11	1.1041	4.0200	4.2493	3.1780	2.6890	2.1230	4.4197	4.7697	4.7622	5.0860		1.7803	1.8043
H12	1.1041	4.0200	4.2493	3.1780	2.6890	2.1230	4.7697	4.4197	5.0860	4.7622	1.7803		1.8043
H13	1.0986	4.3896	4.0374	2.6062	3.3356	2.1054	5.0700	5.0700	4.6174	4.6174	1.8043	1.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.212	C1	C6	O5	114.278
C2	C3	N4	105.145	C2	C3	H9	112.306
C2	C3	H10	112.306	C2	O5	C6	105.286
C3	C2	O5	104.030	C3	C2	H7	112.971
C3	C2	H8	112.971	C3	N4	C6	107.029
N4	C3	H9	109.237	N4	C3	H10	109.237
N4	C6	O5	118.510	O5	C2	H7	108.210
O5	C2	H8	108.210	C6	C1	H11	110.146
C6	C1	H12	110.146	C6	C1	H13	109.085
H7	C2	H8	110.071	H9	C3	H10	108.512
H11	C1	H12	107.450	H11	C1	H13	110.001
H12	C1	H13	110.001

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: LSDA/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	C	-0.688
2	C	-0.260
3	C	-0.373
4	N	-0.421
5	O	-0.420
6	C	0.445
7	H	0.236
8	H	0.236
9	H	0.243
10	H	0.243
11	H	0.252
12	H	0.252
13	H	0.255

	x	y	z	Total
	0.773	-1.031	0.000	1.289
CHELPG
AIM
ESP

	x	y	z
x	6.950	0.641	0.000
y	0.641	8.699	0.000
z	0.000	0.000	5.142

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H7NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)