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	hartrees
Energy at 0K	-281.295214
Energy at 298.15K	-281.304261
Nuclear repulsion energy	238.450699

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3771	3079	1.21
2	A	3601	2941	0.80
3	A	3581	2924	1.98
4	A	3573	2918	0.62
5	A	2026	1655	79.79
6	A	1826	1491	0.29
7	A	1803	1472	0.24
8	A	1799	1469	6.21
9	A	1709	1396	8.97
10	A	1621	1324	12.42
11	A	1593	1300	13.81
12	A	1513	1236	87.67
13	A	1313	1072	6.79
14	A	1258	1027	4.43
15	A	1167	953	1.34
16	A	1121	915	8.89
17	A	1037	847	4.69
18	A	870	710	4.86
19	A	727	593	6.25
20	A	356	291	3.23
21	A	3744	3057	0.45
22	A	3715	3033	0.60
23	A	3695	3017	1.66
24	A	1794	1465	4.03
25	A	1455	1188	0.03
26	A	1378	1125	4.49
27	A	1274	1040	1.91
28	A	1239	1011	4.67
29	A	951	776	1.18
30	A	600	490	10.62
31	A	269	220	6.68
32	A	158	129	0.80
33	A	120	98	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	2.164	0.000
C2	0.547	-1.512	0.000
C3	-0.994	-1.308	0.000
N4	-1.178	0.182	0.000
O5	1.104	-0.177	0.000
C6	0.000	0.680	0.000
H7	0.895	-2.049	0.887
H8	0.895	-2.049	-0.887
H9	-1.469	-1.738	0.883
H10	-1.469	-1.738	-0.883
H11	0.918	2.415	0.882
H12	0.918	2.415	-0.882
H13	-0.585	2.741	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6818	3.7166	2.4925	2.4648	1.5207	4.3415	4.3415	4.3879	4.3879	1.0872	1.0872	1.0849
C2	3.6818		1.5548	2.4179	1.4460	2.2591	1.0940	1.0940	2.2120	2.2120	4.0414	4.0414	4.4012
C3	3.7166	1.5548		1.5010	2.3833	2.2225	2.2149	2.2149	1.0910	1.0910	4.2767	4.2767	4.0695
N4	2.4925	2.4179	1.5010		2.3106	1.2794	3.1721	3.1721	2.1336	2.1336	3.1870	3.1870	2.6271
O5	2.4648	1.4460	2.3833	2.3106		1.3979	2.0816	2.0816	3.1359	3.1359	2.7443	2.7443	3.3723
C6	1.5207	2.2591	2.2225	1.2794	1.3979		3.0058	3.0058	2.9641	2.9641	2.1515	2.1515	2.1427
H7	4.3415	1.0940	2.2149	3.1721	2.0816	3.0058		1.7748	2.3835	2.9691	4.4636	4.8014	5.0914
H8	4.3415	1.0940	2.2149	3.1721	2.0816	3.0058	1.7748		2.9691	2.3835	4.8014	4.4636	5.0914
H9	4.3879	2.2120	1.0910	2.1336	3.1359	2.9641	2.3835	2.9691		1.7662	4.7900	5.1047	4.6507
H10	4.3879	2.2120	1.0910	2.1336	3.1359	2.9641	2.9691	2.3835	1.7662		5.1047	4.7900	4.6507
H11	1.0872	4.0414	4.2767	3.1870	2.7443	2.1515	4.4636	4.8014	4.7900	5.1047		1.7632	1.7729
H12	1.0872	4.0414	4.2767	3.1870	2.7443	2.1515	4.8014	4.4636	5.1047	4.7900	1.7632		1.7729
H13	1.0849	4.4012	4.0695	2.6271	3.3723	2.1427	5.0914	5.0914	4.6507	4.6507	1.7729	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	125.569	C1	C6	O5	115.180
C2	C3	N4	104.592	C2	C3	H9	112.266
C2	C3	H10	112.266	C2	O5	C6	105.180
C3	C2	O5	105.112	C3	C2	H7	112.314
C3	C2	H8	112.314	C3	N4	C6	105.864
N4	C3	H9	109.795	N4	C3	H10	109.795
N4	C6	O5	119.252	O5	C2	H7	109.296
O5	C2	H8	109.296	C6	C1	H11	110.063
C6	C1	H12	110.063	C6	C1	H13	109.503
H7	C2	H8	108.417	H9	C3	H10	108.084
H11	C1	H12	108.367	H11	C1	H13	109.412
H12	C1	H13	109.412

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

using model chemistry: HF/STO-3G

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	-0.192
2	C	-0.006
3	C	-0.050
4	N	-0.281
5	O	-0.244
6	C	0.233
7	H	0.069
8	H	0.069
9	H	0.074
10	H	0.074
11	H	0.083
12	H	0.083
13	H	0.090

	x	y	z	Total
	0.773	-0.767	0.000	1.089
CHELPG
AIM
ESP

	x	y	z
x	4.155	0.652	0.000
y	0.652	5.175	0.000
z	0.000	0.000	2.703

<r²>	150.415
(<r²>)^1/2	12.264

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

using model chemistry: HF/STO-3G

States and conformations

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