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	hartrees
Energy at 0K	-307.063006
Energy at 298.15K
HF Energy	-305.979870
Nuclear repulsion energy	244.015129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3232	3079	5.07	54.63	0.71	0.83
2	A'	3188	3037	18.61	62.26	0.73	0.84
3	A'	3111	2964	17.78	54.00	0.12	0.22
4	A'	3109	2962	0.77	175.00	0.01	0.01
5	A'	3096	2949	14.24	142.76	0.01	0.01
6	A'	1800	1715	223.59	7.98	0.29	0.45
7	A'	1547	1474	6.09	1.74	0.71	0.83
8	A'	1527	1455	3.18	13.11	0.73	0.85
9	A'	1502	1431	12.81	8.50	0.69	0.82
10	A'	1460	1391	4.58	2.71	0.67	0.80
11	A'	1430	1363	46.74	0.63	0.74	0.85
12	A'	1418	1351	18.48	1.35	0.75	0.86
13	A'	1291	1230	430.66	0.20	0.74	0.85
14	A'	1162	1107	8.74	8.81	0.12	0.21
15	A'	1106	1054	99.30	2.91	0.72	0.83
16	A'	1034	985	11.36	1.90	0.21	0.35
17	A'	965	919	8.01	2.38	0.21	0.35
18	A'	881	839	15.11	8.32	0.25	0.40
19	A'	651	620	6.19	8.06	0.31	0.47
20	A'	439	418	0.61	0.34	0.70	0.83
21	A'	377	359	7.94	2.96	0.29	0.45
22	A'	199	190	4.94	0.31	0.60	0.75
23	A"	3199	3048	28.19	21.25	0.75	0.86
24	A"	3196	3045	3.82	48.35	0.75	0.86
25	A"	3165	3015	7.94	69.60	0.75	0.86
26	A"	1506	1435	6.71	9.56	0.75	0.86
27	A"	1495	1425	8.84	8.84	0.75	0.86
28	A"	1318	1256	1.09	9.46	0.75	0.86
29	A"	1206	1149	3.65	0.83	0.75	0.86
30	A"	1077	1026	3.21	0.33	0.75	0.86
31	A"	833	793	0.15	0.19	0.75	0.86
32	A"	594	566	5.18	1.47	0.75	0.86
33	A"	268	256	1.01	0.08	0.75	0.86
34	A"	150	143	4.93	0.01	0.75	0.86
35	A"	67	64	0.25	0.39	0.75	0.86
36	A"	20i	19i	0.63	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.038	0.000
C2	-0.908	-0.515	0.000
O3	0.000	0.487	0.000
O4	-0.610	-1.688	0.000
C5	1.377	0.061	0.000
C6	2.228	1.305	0.000
H7	-3.016	-0.781	0.000
H8	-2.454	0.662	0.879
H9	-2.454	0.662	-0.879
H10	1.556	-0.554	0.881
H11	1.556	-0.554	-0.881
H12	3.282	1.027	0.000
H13	2.030	1.907	-0.885
H14	2.030	1.907	0.885

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5019	2.3481	2.4194	3.6818	4.7067	1.0847	1.0882	1.0882	4.0046	4.0046	5.6733	4.8023	4.8023
C2	1.5019		1.3521	1.2109	2.3566	3.6262	2.1240	2.1319	2.1319	2.6179	2.6179	4.4647	3.9088	3.9088
O3	2.3481	1.3521		2.2589	1.4413	2.3736	3.2713	2.6123	2.6123	2.0695	2.0695	3.3258	2.6303	2.6303
O4	2.4194	1.2109	2.2589		2.6468	4.1249	2.5710	3.1136	3.1136	2.5991	2.5991	4.7453	4.5468	4.5468
C5	3.6818	2.3566	1.4413	2.6468		1.5078	4.4724	3.9758	3.9758	1.0895	1.0895	2.1360	2.1487	2.1487
C6	4.7067	3.6262	2.3736	4.1249	1.5078		5.6435	4.8069	4.8069	2.1646	2.1646	1.0895	1.0881	1.0881
H7	1.0847	2.1240	3.2713	2.5710	4.4724	5.6435		1.7807	1.7807	4.6617	4.6617	6.5517	5.7846	5.7846
H8	1.0882	2.1319	2.6123	3.1136	3.9758	4.8069	1.7807		1.7590	4.1903	4.5452	5.8138	4.9762	4.6530
H9	1.0882	2.1319	2.6123	3.1136	3.9758	4.8069	1.7807	1.7590		4.5452	4.1903	5.8138	4.6530	4.9762
H10	4.0046	2.6179	2.0695	2.5991	1.0895	2.1646	4.6617	4.1903	4.5452		1.7625	2.5009	3.0659	2.5062
H11	4.0046	2.6179	2.0695	2.5991	1.0895	2.1646	4.6617	4.5452	4.1903	1.7625		2.5009	2.5062	3.0659
H12	5.6733	4.4647	3.3258	4.7453	2.1360	1.0895	6.5517	5.8138	5.8138	2.5009	2.5009		1.7674	1.7674
H13	4.8023	3.9088	2.6303	4.5468	2.1487	1.0881	5.7846	4.9762	4.6530	3.0659	2.5062	1.7674		1.7695
H14	4.8023	3.9088	2.6303	4.5468	2.1487	1.0881	5.7846	4.6530	4.9762	2.5062	3.0659	1.7674	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.608	C1	C2	O4	125.873
C2	C1	H7	109.335	C2	C1	H8	109.754
C2	C1	H9	109.754	C2	O3	C5	115.010
O3	C2	O4	123.519	O3	C5	C6	107.172
O3	C5	H10	108.924	O3	C5	H11	108.924
C5	C6	H12	109.594	C5	C6	H13	110.693
C5	C6	H14	110.693	C6	C5	H10	111.892
C6	C5	H11	111.892	H7	C1	H8	110.071
H7	C1	H9	110.071	H8	C1	H9	107.838
H10	C5	H11	107.969	H12	C6	H13	108.503
H12	C6	H14	108.503	H13	C6	H14	108.795

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

using model chemistry: MP2=FULL/TZVP

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: MP2=FULL/TZVP

States and conformations

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