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	hartrees
Energy at 0K	-286.437646
Energy at 298.15K	-286.430746
HF Energy	-286.626150
Nuclear repulsion energy	240.946356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3055	5.08
2	A	3052	2946	55.09
3	A	3050	2944	7.05
4	A	3038	2931	43.63
5	A	1746	1685	135.37
6	A	1528	1474	1.47
7	A	1504	1451	0.27
8	A	1477	1425	8.28
9	A	1417	1367	36.32
10	A	1382	1333	13.27
11	A	1337	1290	14.50
12	A	1251	1208	96.43
13	A	1083	1045	1.94
14	A	1016	980	90.40
15	A	982	947	2.76
16	A	948	914	21.44
17	A	912	880	17.25
18	A	760	733	5.29
19	A	664	641	2.07
20	A	347	335	5.28
21	A	3107	2999	8.23
22	A	3099	2990	44.06
23	A	3064	2957	6.11
24	A	1475	1424	6.90
25	A	1247	1203	0.06
26	A	1217	1174	2.08
27	A	1124	1085	0.01
28	A	1065	1027	3.37
29	A	829	800	0.34
30	A	604	583	5.15
31	A	239	230	9.09
32	A	141	136	0.73
33	A	88	85	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.338	2.128	0.000
C2	0.545	-1.502	0.000
C3	-0.992	-1.288	0.000
N4	-1.166	0.172	0.000
O5	1.079	-0.160	0.000
C6	0.000	0.677	0.000
H7	0.916	-2.020	0.889
H8	0.916	-2.020	-0.889
H9	-1.475	-1.723	0.881
H10	-1.475	-1.723	-0.881
H11	0.938	2.377	0.881
H12	0.938	2.377	-0.881
H13	-0.577	2.718	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6355	3.6658	2.4677	2.4049	1.4902	4.2810	4.2810	4.3469	4.3469	1.0946	1.0946	1.0893
C2	3.6355		1.5515	2.3931	1.4436	2.2456	1.0939	1.0939	2.2153	2.2153	3.9969	3.9969	4.3664
C3	3.6658	1.5515		1.4700	2.3574	2.2008	2.2281	2.2281	1.0954	1.0954	4.2347	4.2347	4.0274
N4	2.4677	2.3931	1.4700		2.2686	1.2704	3.1504	3.1504	2.1124	2.1124	3.1726	3.1726	2.6134
O5	2.4049	1.4436	2.3574	2.2686		1.3652	2.0676	2.0676	3.1210	3.1210	2.6896	2.6896	3.3205
C6	1.4902	2.2456	2.2008	1.2704	1.3652		2.9833	2.9833	2.9515	2.9515	2.1325	2.1325	2.1213
H7	4.2810	1.0939	2.2281	3.1504	2.0676	2.9833		1.7787	2.4093	2.9900	4.3967	4.7398	5.0463
H8	4.2810	1.0939	2.2281	3.1504	2.0676	2.9833	1.7787		2.9900	2.4093	4.7398	4.3967	5.0463
H9	4.3469	2.2153	1.0954	2.1124	3.1210	2.9515	2.4093	2.9900		1.7627	4.7575	5.0735	4.6158
H10	4.3469	2.2153	1.0954	2.1124	3.1210	2.9515	2.9900	2.4093	1.7627		5.0735	4.7575	4.6158
H11	1.0946	3.9969	4.2347	3.1726	2.6896	2.1325	4.3967	4.7398	4.7575	5.0735		1.7625	1.7857
H12	1.0946	3.9969	4.2347	3.1726	2.6896	2.1325	4.7398	4.3967	5.0735	4.7575	1.7625		1.7857
H13	1.0893	4.3664	4.0274	2.6134	3.3205	2.1213	5.0463	5.0463	4.6158	4.6158	1.7857	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.611	C1	C6	O5	114.613
C2	C3	N4	104.408	C2	C3	H9	112.567
C2	C3	H10	112.567	C2	O5	C6	106.247
C3	C2	O5	103.777	C3	C2	H7	113.443
C3	C2	H8	113.443	C3	N4	C6	106.792
N4	C3	H9	110.125	N4	C3	H10	110.125
N4	C6	O5	118.776	O5	C2	H7	108.665
O5	C2	H8	108.665	C6	C1	H11	110.168
C6	C1	H12	110.168	C6	C1	H13	109.595
H7	C2	H8	108.584	H9	C3	H10	107.069
H11	C1	H12	107.364	H11	C1	H13	109.758
H12	C1	H13	109.758

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

using model chemistry: G4

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	-0.468
2	C	-0.107
3	C	-0.182
4	N	-0.303
5	O	-0.253
6	C	0.409
7	H	0.117
8	H	0.117
9	H	0.115
10	H	0.115
11	H	0.144
12	H	0.144
13	H	0.152

	x	y	z	Total
	0.985	-0.763	0.000	1.246
CHELPG
AIM
ESP

<r²>	148.442
(<r²>)^1/2	12.184

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

using model chemistry: G4

States and conformations

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