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	hartrees
Energy at 0K	-307.163630
Energy at 298.15K
HF Energy	-305.991083
Nuclear repulsion energy	245.007678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3041	5.34
2	A'	3171	2995	20.49
3	A'	3109	2937	15.21
4	A'	3104	2932	1.12
5	A'	3089	2918	13.78
6	A'	1890	1785	263.17
7	A'	1551	1465	5.02
8	A'	1522	1438	2.78
9	A'	1496	1413	13.51
10	A'	1462	1381	14.41
11	A'	1430	1351	101.25
12	A'	1412	1334	20.90
13	A'	1328	1254	403.68
14	A'	1168	1103	26.34
15	A'	1128	1066	63.67
16	A'	1034	977	6.87
17	A'	980	926	4.98
18	A'	894	844	8.80
19	A'	660	623	9.30
20	A'	436	412	0.90
21	A'	381	360	9.47
22	A'	200	189	5.10
23	A"	3177	3001	9.82
24	A"	3177	3001	27.55
25	A"	3148	2974	4.33
26	A"	1509	1426	6.05
27	A"	1503	1420	7.23
28	A"	1325	1252	1.62
29	A"	1205	1139	3.77
30	A"	1090	1030	5.57
31	A"	823	777	0.35
32	A"	624	590	5.64
33	A"	267	252	1.04
34	A"	155	146	4.47
35	A"	78	73	0.08
36	A"	64	61	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.303	0.031	0.000
C2	-0.901	-0.512	0.000
O3	0.000	0.480	0.000
O4	-0.608	-1.673	0.000
C5	1.369	0.059	0.000
C6	2.225	1.304	0.000
H7	-3.008	-0.790	0.000
H8	-2.453	0.656	0.877
H9	-2.453	0.656	-0.877
H10	1.551	-0.557	0.878
H11	1.551	-0.557	-0.878
H12	3.278	1.028	0.000
H13	2.027	1.908	-0.883
H14	2.027	1.908	0.883

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5028	2.3457	2.4039	3.6713	4.7034	1.0833	1.0875	1.0875	3.9960	3.9960	5.6685	4.8005	4.8005
C2	1.5028		1.3395	1.1983	2.3405	3.6156	2.1253	2.1310	2.1310	2.6052	2.6052	4.4535	3.8998	3.8998
O3	2.3457	1.3395		2.2369	1.4319	2.3733	3.2653	2.6112	2.6112	2.0620	2.0620	3.3233	2.6323	2.6323
O4	2.4039	1.1983	2.2369		2.6278	4.1100	2.5577	3.0986	3.0986	2.5839	2.5839	4.7320	4.5330	4.5330
C5	3.6713	2.3405	1.4319	2.6278		1.5118	4.4585	3.9664	3.9664	1.0880	1.0880	2.1410	2.1526	2.1526
C6	4.7034	3.6156	2.3733	4.1100	1.5118		5.6372	4.8038	4.8038	2.1660	2.1660	1.0882	1.0877	1.0877
H7	1.0833	2.1253	3.2653	2.5577	4.4585	5.6372		1.7806	1.7806	4.6489	4.6489	6.5437	5.7805	5.7805
H8	1.0875	2.1310	2.6112	3.0986	3.9664	4.8038	1.7806		1.7547	4.1839	4.5373	5.8095	4.9734	4.6516
H9	1.0875	2.1310	2.6112	3.0986	3.9664	4.8038	1.7806	1.7547		4.5373	4.1839	5.8095	4.6516	4.9734
H10	3.9960	2.6052	2.0620	2.5839	1.0880	2.1660	4.6489	4.1839	4.5373		1.7561	2.5030	3.0669	2.5112
H11	3.9960	2.6052	2.0620	2.5839	1.0880	2.1660	4.6489	4.5373	4.1839	1.7561		2.5030	2.5112	3.0669
H12	5.6685	4.4535	3.3233	4.7320	2.1410	1.0882	6.5437	5.8095	5.8095	2.5030	2.5030		1.7661	1.7661
H13	4.8005	3.8998	2.6323	4.5330	2.1526	1.0877	5.7805	4.9734	4.6516	3.0669	2.5112	1.7661		1.7651
H14	4.8005	3.8998	2.6323	4.5330	2.1526	1.0877	5.7805	4.6516	4.9734	2.5112	3.0669	1.7661	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.102	C1	C2	O4	125.365
C2	C1	H7	109.466	C2	C1	H8	109.670
C2	C1	H9	109.670	C2	O3	C5	115.193
O3	C2	O4	123.533	O3	C5	C6	107.425
O3	C5	H10	109.066	O3	C5	H11	109.066
C5	C6	H12	109.791	C5	C6	H13	110.744
C5	C6	H14	110.744	C6	C5	H10	111.810
C6	C5	H11	111.810	H7	C1	H8	110.222
H7	C1	H9	110.222	H8	C1	H9	107.567
H10	C5	H11	107.616	H12	C6	H13	108.518
H12	C6	H14	108.518	H13	C6	H14	108.461

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

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

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