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	hartrees
Energy at 0K	-51.250206
Energy at 298.15K	-51.259455
Nuclear repulsion energy	129.414358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3366	3034	25.46
2	A	3297	2972	77.47
3	A	3270	2948	61.96
4	A	3243	2924	29.45
5	A	1868	1684	180.60
6	A	1666	1502	2.70
7	A	1647	1484	0.87
8	A	1619	1459	12.89
9	A	1570	1416	17.49
10	A	1497	1350	15.13
11	A	1470	1325	1.65
12	A	1357	1223	145.08
13	A	1192	1074	0.26
14	A	1093	985	93.99
15	A	1047	944	13.06
16	A	1010	911	44.48
17	A	958	864	30.07
18	A	817	736	12.16
19	A	691	622	6.88
20	A	357	321	8.65
21	A	3366	3034	88.63
22	A	3321	2994	20.79
23	A	3321	2993	33.70
24	A	1615	1456	13.84
25	A	1356	1222	0.07
26	A	1301	1173	3.75
27	A	1222	1102	0.35
28	A	1188	1071	4.78
29	A	901	812	0.37
30	A	635	572	13.93
31	A	259	234	19.11
32	A	154	138	1.39
33	A	118	107	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.377	2.161	0.000
C2	0.502	-1.546	0.000
C3	-1.039	-1.287	0.000
N4	-1.169	0.195	0.000
O5	1.066	-0.192	0.000
C6	0.000	0.706	0.000
H7	0.859	-2.055	0.887
H8	0.859	-2.055	-0.887
H9	-1.530	-1.693	0.878
H10	-1.530	-1.693	-0.878
H11	0.977	2.385	0.880
H12	0.977	2.385	-0.880
H13	-0.519	2.770	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.7090	3.7277	2.5012	2.4517	1.5027	4.3354	4.3354	4.3891	4.3891	1.0881	1.0881	1.0838
C2	3.7090		1.5629	2.4130	1.4666	2.3076	1.0830	1.0830	2.2187	2.2187	4.0564	4.0564	4.4352
C3	3.7277	1.5629		1.4877	2.3729	2.2483	2.2314	2.2314	1.0851	1.0851	4.2809	4.2809	4.0903
N4	2.5012	2.4130	1.4877		2.2679	1.2760	3.1562	3.1562	2.1136	2.1136	3.1901	3.1901	2.6558
O5	2.4517	1.4666	2.3729	2.2679		1.3939	2.0738	2.0738	3.1247	3.1247	2.7249	2.7249	3.3595
C6	1.5027	2.3076	2.2483	1.2760	1.3939		3.0251	3.0251	2.9785	2.9785	2.1324	2.1324	2.1280
H7	4.3354	1.0830	2.2314	3.1562	2.0738	3.0251		1.7733	2.4162	2.9922	4.4423	4.7806	5.0960
H8	4.3354	1.0830	2.2314	3.1562	2.0738	3.0251	1.7733		2.9922	2.4162	4.7806	4.4423	5.0960
H9	4.3891	2.2187	1.0851	2.1136	3.1247	2.9785	2.4162	2.9922		1.7569	4.7875	5.1002	4.6598
H10	4.3891	2.2187	1.0851	2.1136	3.1247	2.9785	2.9922	2.4162	1.7569		5.1002	4.7875	4.6598
H11	1.0881	4.0564	4.2809	3.1901	2.7249	2.1324	4.4423	4.7806	4.7875	5.1002		1.7595	1.7778
H12	1.0881	4.0564	4.2809	3.1901	2.7249	2.1324	4.7806	4.4423	5.1002	4.7875	1.7595		1.7778
H13	1.0838	4.4352	4.0903	2.6558	3.3595	2.1280	5.0960	5.0960	4.6598	4.6598	1.7778	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	128.168	C1	C6	O5	115.600
C2	C3	N4	104.528	C2	C3	H9	112.585
C2	C3	H10	112.585	C2	O5	C6	107.529
C3	C2	O5	103.074	C3	C2	H7	113.752
C3	C2	H8	113.752	C3	N4	C6	108.636
N4	C3	H9	109.478	N4	C3	H10	109.478
N4	C6	O5	116.232	O5	C2	H7	107.914
O5	C2	H8	107.914	C6	C1	H11	109.752
C6	C1	H12	109.752	C6	C1	H13	109.653
H7	C2	H8	109.905	H9	C3	H10	108.106
H11	C1	H12	107.904	H11	C1	H13	109.879
H12	C1	H13	109.879

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

using model chemistry: HF/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	C	-0.197
2	C	-0.001
3	C	-0.147
4	N	0.051
5	O	-0.376
6	C	-0.296
7	H	0.144
8	H	0.144
9	H	0.140
10	H	0.140
11	H	0.125
12	H	0.125
13	H	0.148

	x	y	z	Total
	0.750	-1.405	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	7.118	0.829	0.000
y	0.829	8.072	0.000
z	0.000	0.000	4.999

<r²>	125.491
(<r²>)^1/2	11.202

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

using model chemistry: HF/CEP-31G

States and conformations

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