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	hartrees
Energy at 0K
Energy at 298.15K	-0.166329
HF Energy	-0.166329
Nuclear repulsion energy	161.803722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2790	2964	36.89
2	A'	2784	2957	87.72
3	A'	2723	2893	26.34
4	A'	2697	2866	62.53
5	A'	2688	2856	119.61
6	A'	1818	1931	501.02
7	A'	1329	1412	38.27
8	A'	1314	1395	93.69
9	A'	1313	1395	127.81
10	A'	1286	1366	43.63
11	A'	1261	1340	378.59
12	A'	1248	1326	88.86
13	A'	1208	1283	45.72
14	A'	1174	1248	18.86
15	A'	1115	1185	276.11
16	A'	1041	1106	22.61
17	A'	983	1044	0.24
18	A'	880	935	0.09
19	A'	606	643	18.19
20	A'	381	405	2.16
21	A'	343	364	8.84
22	A'	164	174	5.88
23	A"	2696	2864	127.48
24	A"	2682	2850	125.03
25	A"	2658	2824	10.64
26	A"	1237	1315	46.10
27	A"	1218	1294	72.97
28	A"	1141	1213	4.32
29	A"	1082	1150	16.44
30	A"	1030	1094	98.34
31	A"	827	879	18.66
32	A"	547	581	11.56
33	A"	158	168	11.74
34	A"	81	86	1.27
35	A"	29i	31i	0.43
36	A"	60i	64i	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-2.288	-0.016	0.000
C2	-0.908	-0.576	0.000
O3	0.000	0.456	0.000
O4	-0.555	-1.733	0.000
C5	1.424	0.089	0.000
C6	2.141	1.421	0.000
H7	-3.039	-0.821	0.000
H8	-2.466	0.618	0.883
H9	-2.466	0.618	-0.883
H10	1.613	-0.517	0.903
H11	1.613	-0.517	-0.903
H12	3.229	1.286	0.000
H13	1.873	2.020	-0.881
H14	1.873	2.020	0.881

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4889	2.3359	2.4390	3.7132	4.6562	1.1011	1.1011	1.1011	4.0355	4.0355	5.6685	4.7151	4.7151
C2	1.4889		1.3747	1.2092	2.4252	3.6452	2.1445	2.1520	2.1520	2.6791	2.6791	4.5373	3.9053	3.9053
O3	2.3359	1.3747		2.2578	1.4704	2.3486	3.2961	2.6242	2.6242	2.0889	2.0889	3.3342	2.5944	2.5944
O4	2.4390	1.2092	2.2578		2.6899	4.1493	2.6454	3.1551	3.1551	2.6452	2.6452	4.8411	4.5559	4.5559
C5	3.7132	2.4252	1.4704	2.6899		1.5129	4.5545	4.0236	4.0236	1.1034	1.1034	2.1662	2.1698	2.1698
C6	4.6562	3.6452	2.3486	4.1493	1.5129		5.6443	4.7591	4.7591	2.2018	2.2018	1.0963	1.0988	1.0988
H7	1.1011	2.1445	3.2961	2.6454	4.5545	5.6443		1.7827	1.7827	4.7487	4.7487	6.6126	5.7421	5.7421
H8	1.1011	2.1520	2.6242	3.1551	4.0236	4.7591	1.7827		1.7653	4.2343	4.5952	5.8016	4.8888	4.5597
H9	1.1011	2.1520	2.6242	3.1551	4.0236	4.7591	1.7827	1.7653		4.5952	4.2343	5.8016	4.5597	4.8888
H10	4.0355	2.6791	2.0889	2.6452	1.1034	2.2018	4.7487	4.2343	4.5952		1.8054	2.5838	3.1121	2.5503
H11	4.0355	2.6791	2.0889	2.6452	1.1034	2.2018	4.7487	4.5952	4.2343	1.8054		2.5838	2.5503	3.1121
H12	5.6685	4.5373	3.3342	4.8411	2.1662	1.0963	6.6126	5.8016	5.8016	2.5838	2.5838		1.7761	1.7761
H13	4.7151	3.9053	2.5944	4.5559	2.1698	1.0988	5.7421	4.8888	4.5597	3.1121	2.5503	1.7761		1.7619
H14	4.7151	3.9053	2.5944	4.5559	2.1698	1.0988	5.7421	4.5597	4.8888	2.5503	3.1121	1.7761	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.252	C1	C2	O4	129.076
C2	C1	H7	110.898	C2	C1	H8	111.498
C2	C1	H9	111.498	C2	O3	C5	116.910
O3	C2	O4	121.672	O3	C5	C6	103.852
O3	C5	H10	107.655	O3	C5	H11	107.655
C5	C6	H12	111.241	C5	C6	H13	111.372
C5	C6	H14	111.372	C6	C5	H10	113.691
C6	C5	H11	113.691	H7	C1	H8	108.095
H7	C1	H9	108.095	H8	C1	H9	106.566
H10	C5	H11	109.787	H12	C6	H13	108.027
H12	C6	H14	108.027	H13	C6	H14	106.599

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)

using model chemistry: PM6

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 C4H8O2 (Ethyl acetate)

using model chemistry: PM6

States and conformations

All results from a given calculation for C₄H₈O₂ (Ethyl acetate)