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	hartrees
Energy at 0K	-306.904579
Energy at 298.15K
HF Energy	-305.895256
Nuclear repulsion energy	242.283431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3191	3041
2	A'	3143	2995
3	A'	3069	2925
4	A'	3064	2921
5	A'	3053	2910
6	A'	1826	1740
7	A'	1513	1442
8	A'	1490	1420
9	A'	1462	1394
10	A'	1432	1365
11	A'	1399	1333
12	A'	1377	1313
13	A'	1280	1220
14	A'	1140	1087
15	A'	1094	1042
16	A'	1010	962
17	A'	954	909
18	A'	866	826
19	A'	640	610
20	A'	422	402
21	A'	372	354
22	A'	197	187
23	A"	3153	3005
24	A"	3150	3002
25	A"	3112	2966
26	A"	1475	1406
27	A"	1470	1401
28	A"	1289	1228
29	A"	1180	1124
30	A"	1058	1008
31	A"	806	769
32	A"	598	570
33	A"	275	262
34	A"	154	146
35	A"	82	78
36	A"	59	56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.321	0.046	0.000
C2	-0.912	-0.515	0.000
O3	0.000	0.496	0.000
O4	-0.613	-1.693	0.000
C5	1.379	0.052	0.000
C6	2.248	1.301	0.000
H7	-3.047	-0.782	0.000
H8	-2.467	0.681	0.891
H9	-2.467	0.681	-0.891
H10	1.558	-0.577	0.892
H11	1.558	-0.577	-0.892
H12	3.316	1.016	0.000
H13	2.047	1.915	-0.897
H14	2.047	1.915	0.897

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5167	2.3641	2.4370	3.6994	4.7378	1.1008	1.1047	1.1047	4.0281	4.0281	5.7199	4.8348	4.8348
C2	1.5167		1.3614	1.2151	2.3594	3.6442	2.1517	2.1554	2.1554	2.6262	2.6262	4.4966	3.9323	3.9323
O3	2.3641	1.3614		2.2732	1.4483	2.3875	3.3038	2.6297	2.6297	2.0912	2.0912	3.3567	2.6473	2.6473
O4	2.4370	1.2151	2.2732		2.6481	4.1413	2.5985	3.1416	3.1416	2.5988	2.5988	4.7729	4.5716	4.5716
C5	3.6994	2.3594	1.4483	2.6481		1.5218	4.5032	3.9974	3.9974	1.1062	1.1062	2.1643	2.1731	2.1731
C6	4.7378	3.6442	2.3875	4.1413	1.5218		5.6894	4.8380	4.8380	2.1910	2.1910	1.1059	1.1052	1.1052
H7	1.1008	2.1517	3.3038	2.5985	4.5032	5.6894		1.8090	1.8090	4.6944	4.6944	6.6121	5.8329	5.8329
H8	1.1047	2.1554	2.6297	3.1416	3.9974	4.8380	1.8090		1.7830	4.2168	4.5785	5.8610	5.0094	4.6793
H9	1.1047	2.1554	2.6297	3.1416	3.9974	4.8380	1.8090	1.7830		4.5785	4.2168	5.8610	4.6793	5.0094
H10	4.0281	2.6262	2.0912	2.5988	1.1062	2.1910	4.6944	4.2168	4.5785		1.7843	2.5353	3.1067	2.5400
H11	4.0281	2.6262	2.0912	2.5988	1.1062	2.1910	4.6944	4.5785	4.2168	1.7843		2.5353	2.5400	3.1067
H12	5.7199	4.4966	3.3567	4.7729	2.1643	1.1059	6.6121	5.8610	5.8610	2.5353	2.5353		1.7955	1.7955
H13	4.8348	3.9323	2.6473	4.5716	2.1731	1.1052	5.8329	5.0094	4.6793	3.1067	2.5400	1.7955		1.7937
H14	4.8348	3.9323	2.6473	4.5716	2.1731	1.1052	5.8329	4.6793	5.0094	2.5400	3.1067	1.7955	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.340	C1	C2	O4	125.919
C2	C1	H7	109.551	C2	C1	H8	109.617
C2	C1	H9	109.617	C2	O3	C5	114.195
O3	C2	O4	123.741	O3	C5	C6	106.973
O3	C5	H10	109.166	O3	C5	H11	109.166
C5	C6	H12	109.888	C5	C6	H13	110.626
C5	C6	H14	110.626	C6	C5	H10	111.994
C6	C5	H11	111.994	H7	C1	H8	110.208
H7	C1	H9	110.208	H8	C1	H9	107.613
H10	C5	H11	107.503	H12	C6	H13	108.584
H12	C6	H14	108.584	H13	C6	H14	108.473

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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