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	hartrees
Energy at 0K	-304.785962
Energy at 298.15K
HF Energy	-304.165792
Nuclear repulsion energy	239.488615

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'	3214	3069	6.43	57.78	0.72	0.84
2	A'	3177	3033	17.94	58.08	0.75	0.86
3	A'	3114	2973	2.15	73.37	0.00	0.00
4	A'	3111	2971	11.31	94.34	0.10	0.18
5	A'	3103	2962	11.16	81.28	0.03	0.07
6	A'	1722	1644	94.84	2.60	0.45	0.62
7	A'	1617	1544	5.43	1.79	0.74	0.85
8	A'	1603	1530	4.94	30.10	0.75	0.85
9	A'	1572	1501	20.55	20.61	0.75	0.85
10	A'	1497	1429	7.89	5.35	0.67	0.80
11	A'	1473	1406	23.67	4.28	0.70	0.82
12	A'	1445	1380	4.47	3.90	0.75	0.85
13	A'	1252	1195	380.25	0.50	0.75	0.85
14	A'	1166	1113	7.98	7.31	0.19	0.32
15	A'	1073	1024	148.38	3.15	0.36	0.53
16	A'	1028	982	0.63	4.15	0.52	0.69
17	A'	923	881	3.61	1.84	0.74	0.85
18	A'	830	793	15.78	14.86	0.25	0.40
19	A'	626	598	6.46	11.06	0.32	0.49
20	A'	410	391	0.20	0.40	0.60	0.75
21	A'	356	340	10.79	2.90	0.37	0.54
22	A'	186	177	4.60	0.28	0.63	0.77
23	A"	3193	3048	26.63	22.38	0.75	0.86
24	A"	3185	3041	3.76	49.78	0.75	0.86
25	A"	3154	3011	12.82	67.62	0.75	0.86
26	A"	1592	1520	5.41	23.69	0.75	0.86
27	A"	1582	1510	8.74	21.90	0.75	0.86
28	A"	1340	1280	0.09	13.24	0.75	0.86
29	A"	1221	1165	4.37	5.42	0.75	0.86
30	A"	1124	1073	7.11	1.05	0.75	0.86
31	A"	862	823	1.03	0.09	0.75	0.86
32	A"	594	567	4.82	1.46	0.75	0.86
33	A"	270	258	1.59	0.00	0.75	0.86
34	A"	152	145	5.70	0.00	0.75	0.86
35	A"	99	95	1.10	0.10	0.75	0.86
36	A"	39	37	0.12	0.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.339	0.058	0.000
C2	-0.938	-0.532	0.000
O3	0.000	0.501	0.000
O4	-0.619	-1.729	0.000
C5	1.423	0.044	0.000
C6	2.253	1.331	0.000
H7	-3.065	-0.755	0.000
H8	-2.471	0.685	0.886
H9	-2.471	0.685	-0.886
H10	1.607	-0.570	0.886
H11	1.607	-0.570	-0.886
H12	3.322	1.093	0.000
H13	2.017	1.922	-0.888
H14	2.017	1.922	0.888

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5202	2.3804	2.4800	3.7619	4.7649	1.0904	1.0932	1.0932	4.0928	4.0928	5.7542	4.8204	4.8204
C2	1.5202		1.3955	1.2382	2.4305	3.6951	2.1387	2.1484	2.1484	2.6954	2.6954	4.5592	3.9428	3.9428
O3	2.3804	1.3955		2.3140	1.4945	2.4010	3.3125	2.6313	2.6313	2.1246	2.1246	3.3739	2.6224	2.6224
O4	2.4800	1.2382	2.3140		2.7046	4.1966	2.6325	3.1683	3.1683	2.6621	2.6621	4.8471	4.5900	4.5900
C5	3.7619	2.4305	1.4945	2.7046		1.5311	4.5588	4.0444	4.0444	1.0935	1.0935	2.1690	2.1606	2.1606
C6	4.7649	3.6951	2.4010	4.1966	1.5311		5.7125	4.8493	4.8493	2.1941	2.1941	1.0947	1.0926	1.0926
H7	1.0904	2.1387	3.3125	2.6325	4.5588	5.7125		1.7920	1.7920	4.7593	4.7593	6.6487	5.8124	5.8124
H8	1.0932	2.1484	2.6313	3.1683	4.0444	4.8493	1.7920		1.7722	4.2665	4.6200	5.8739	4.9819	4.6552
H9	1.0932	2.1484	2.6313	3.1683	4.0444	4.8493	1.7920	1.7722		4.6200	4.2665	5.8739	4.6552	4.9819
H10	4.0928	2.6954	2.1246	2.6621	1.0935	2.1941	4.7593	4.2665	4.6200		1.7722	2.5474	3.0861	2.5252
H11	4.0928	2.6954	2.1246	2.6621	1.0935	2.1941	4.7593	4.6200	4.2665	1.7722		2.5474	2.5252	3.0861
H12	5.7542	4.5592	3.3739	4.8471	2.1690	1.0947	6.6487	5.8739	5.8739	2.5474	2.5474		1.7825	1.7825
H13	4.8204	3.9428	2.6224	4.5900	2.1606	1.0926	5.8124	4.9819	4.6552	3.0861	2.5252	1.7825		1.7760
H14	4.8204	3.9428	2.6224	4.5900	2.1606	1.0926	5.8124	4.6552	4.9819	2.5252	3.0861	1.7825	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.381	C1	C2	O4	127.778
C2	C1	H7	108.904	C2	C1	H8	109.502
C2	C1	H9	109.502	C2	O3	C5	114.453
O3	C2	O4	122.842	O3	C5	C6	105.031
O3	C5	H10	109.381	O3	C5	H11	109.381
C5	C6	H12	110.280	C5	C6	H13	109.737
C5	C6	H14	109.737	C6	C5	H10	112.359
C6	C5	H11	112.359	H7	C1	H8	110.307
H7	C1	H9	110.307	H8	C1	H9	108.305
H10	C5	H11	108.251	H12	C6	H13	109.162
H12	C6	H14	109.162	H13	C6	H14	108.735

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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