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	hartrees
Energy at 0K	-306.834952
Energy at 298.15K
HF Energy	-305.896454
Nuclear repulsion energy	243.126536

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'	3247	3086	4.35	64.12	0.72	0.84
2	A'	3205	3046	16.23	73.64	0.73	0.85
3	A'	3114	2960	3.83	104.59	0.00	0.00
4	A'	3109	2954	15.54	150.95	0.05	0.09
5	A'	3101	2947	16.05	79.02	0.02	0.04
6	A'	1833	1742	191.63	5.21	0.43	0.60
7	A'	1524	1448	4.14	1.46	0.75	0.86
8	A'	1501	1427	2.32	18.06	0.75	0.86
9	A'	1472	1399	12.26	12.37	0.73	0.84
10	A'	1440	1369	5.83	3.00	0.64	0.78
11	A'	1406	1336	89.96	1.64	0.74	0.85
12	A'	1384	1316	22.43	0.90	0.67	0.81
13	A'	1289	1225	395.04	0.37	0.73	0.84
14	A'	1151	1094	9.34	7.66	0.14	0.24
15	A'	1110	1055	85.52	3.07	0.70	0.83
16	A'	1017	966	13.34	1.44	0.18	0.31
17	A'	969	921	8.33	2.23	0.17	0.29
18	A'	874	831	11.21	8.32	0.27	0.42
19	A'	648	616	7.85	7.77	0.33	0.49
20	A'	428	406	0.48	0.31	0.68	0.81
21	A'	375	356	9.10	2.73	0.33	0.50
22	A'	198	188	3.97	0.35	0.64	0.78
23	A"	3212	3053	25.33	45.22	0.75	0.86
24	A"	3212	3052	1.44	47.78	0.75	0.86
25	A"	3167	3010	15.61	74.44	0.75	0.86
26	A"	1486	1412	6.03	14.31	0.75	0.86
27	A"	1479	1406	8.27	12.14	0.75	0.86
28	A"	1303	1238	1.08	7.24	0.75	0.86
29	A"	1188	1129	4.24	0.98	0.75	0.86
30	A"	1065	1012	5.36	0.06	0.75	0.86
31	A"	816	775	0.49	0.16	0.75	0.86
32	A"	606	576	4.09	0.90	0.75	0.86
33	A"	280	266	1.02	0.01	0.75	0.86
34	A"	156	148	3.84	0.03	0.75	0.86
35	A"	80	76	0.00	0.22	0.75	0.86
36	A"	63	60	0.89	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.310	0.044	0.000
C2	-0.909	-0.514	0.000
O3	0.000	0.495	0.000
O4	-0.609	-1.691	0.000
C5	1.374	0.054	0.000
C6	2.236	1.300	0.000
H7	-3.033	-0.780	0.000
H8	-2.457	0.678	0.887
H9	-2.457	0.678	-0.887
H10	1.554	-0.573	0.888
H11	1.554	-0.573	-0.888
H12	3.301	1.020	0.000
H13	2.034	1.910	-0.893
H14	2.034	1.910	0.893

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5088	2.3539	2.4304	3.6839	4.7163	1.0962	1.0999	1.0999	4.0125	4.0125	5.6954	4.8116	4.8116
C2	1.5088		1.3576	1.2149	2.3519	3.6299	2.1413	2.1458	2.1458	2.6183	2.6183	4.4803	3.9156	3.9156
O3	2.3539	1.3576		2.2692	1.4424	2.3763	3.2902	2.6186	2.6186	2.0838	2.0838	3.3423	2.6339	2.6339
O4	2.4304	1.2149	2.2692		2.6415	4.1277	2.5901	3.1329	3.1329	2.5917	2.5917	4.7580	4.5555	4.5555
C5	3.6839	2.3519	1.4424	2.6415		1.5146	4.4851	3.9811	3.9811	1.1019	1.1019	2.1557	2.1627	2.1627
C6	4.7163	3.6299	2.3763	4.1277	1.5146		5.6646	4.8162	4.8162	2.1815	2.1815	1.1010	1.1002	1.1002
H7	1.0962	2.1413	3.2902	2.5901	4.4851	5.6646		1.8010	1.8010	4.6768	4.6768	6.5849	5.8061	5.8061
H8	1.0999	2.1458	2.6186	3.1329	3.9811	4.8162	1.8010		1.7739	4.2012	4.5608	5.8358	4.9854	4.6570
H9	1.0999	2.1458	2.6186	3.1329	3.9811	4.8162	1.8010	1.7739		4.5608	4.2012	5.8358	4.6570	4.9854
H10	4.0125	2.6183	2.0838	2.5917	1.1019	2.1815	4.6768	4.2012	4.5608		1.7761	2.5255	3.0929	2.5289
H11	4.0125	2.6183	2.0838	2.5917	1.1019	2.1815	4.6768	4.5608	4.2012	1.7761		2.5255	2.5289	3.0929
H12	5.6954	4.4803	3.3423	4.7580	2.1557	1.1010	6.5849	5.8358	5.8358	2.5255	2.5255		1.7871	1.7871
H13	4.8116	3.9156	2.6339	4.5555	2.1627	1.1002	5.8061	4.9854	4.6570	3.0929	2.5289	1.7871		1.7852
H14	4.8116	3.9156	2.6339	4.5555	2.1627	1.1002	5.8061	4.6570	4.9854	2.5289	3.0929	1.7871	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.301	C1	C2	O4	125.993
C2	C1	H7	109.551	C2	C1	H8	109.695
C2	C1	H9	109.695	C2	O3	C5	114.234
O3	C2	O4	123.707	O3	C5	C6	106.923
O3	C5	H10	109.235	O3	C5	H11	109.235
C5	C6	H12	110.004	C5	C6	H13	110.601
C5	C6	H14	110.601	C6	C5	H10	112.006
C6	C5	H11	112.006	H7	C1	H8	110.189
H7	C1	H9	110.189	H8	C1	H9	107.493
H10	C5	H11	107.396	H12	C6	H13	108.561
H12	C6	H14	108.561	H13	C6	H14	108.450

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

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVDZ

States and conformations

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