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	hartrees
Energy at 0K	-306.833934
Energy at 298.15K
HF Energy	-305.886225
Nuclear repulsion energy	243.741313

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'	3284	3068	5.27	56.96	0.72	0.84
2	A'	3243	3030	17.44	63.03	0.74	0.85
3	A'	3154	2948	3.41	81.36	0.00	0.00
4	A'	3151	2944	14.61	98.81	0.07	0.14
5	A'	3144	2938	12.86	94.67	0.01	0.03
6	A'	1836	1716	182.91	5.69	0.36	0.52
7	A'	1580	1476	3.72	0.80	0.75	0.86
8	A'	1561	1458	2.31	21.61	0.75	0.86
9	A'	1535	1434	11.17	14.23	0.74	0.85
10	A'	1483	1385	4.52	4.67	0.75	0.86
11	A'	1455	1359	60.89	2.21	0.75	0.86
12	A'	1432	1338	10.98	2.30	0.64	0.78
13	A'	1315	1229	412.74	0.25	0.69	0.82
14	A'	1175	1098	10.58	7.24	0.17	0.28
15	A'	1119	1046	86.84	3.17	0.68	0.81
16	A'	1044	976	9.33	1.64	0.24	0.39
17	A'	974	911	7.25	2.03	0.28	0.44
18	A'	883	826	12.38	10.06	0.28	0.44
19	A'	649	606	7.94	7.53	0.33	0.49
20	A'	435	406	0.61	0.36	0.72	0.84
21	A'	376	351	9.37	2.54	0.33	0.49
22	A'	199	186	4.84	0.28	0.63	0.77
23	A"	3254	3040	24.46	30.12	0.75	0.86
24	A"	3248	3035	4.03	51.27	0.75	0.86
25	A"	3210	2999	14.04	61.06	0.75	0.86
26	A"	1550	1448	4.80	17.98	0.75	0.86
27	A"	1539	1438	7.29	15.35	0.75	0.86
28	A"	1331	1243	0.49	10.54	0.75	0.86
29	A"	1220	1140	4.48	1.91	0.75	0.86
30	A"	1093	1021	5.19	0.80	0.75	0.86
31	A"	836	781	0.27	0.17	0.75	0.86
32	A"	607	567	5.87	1.38	0.75	0.86
33	A"	283	264	1.01	0.01	0.75	0.86
34	A"	158	148	4.45	0.01	0.75	0.86
35	A"	75	70	0.02	0.33	0.75	0.86
36	A"	63	59	0.75	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.306	0.040	0.000
C2	-0.908	-0.513	0.000
O3	0.000	0.494	0.000
O4	-0.607	-1.693	0.000
C5	1.377	0.058	0.000
C6	2.228	1.303	0.000
H7	-3.015	-0.779	0.000
H8	-2.454	0.663	0.878
H9	-2.454	0.663	-0.878
H10	1.552	-0.560	0.879
H11	1.552	-0.560	-0.879
H12	3.281	1.032	0.000
H13	2.025	1.904	-0.882
H14	2.025	1.904	0.882

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5031	2.3502	2.4273	3.6826	4.7064	1.0836	1.0869	1.0869	4.0023	4.0023	5.6744	4.7970	4.7970
C2	1.5031		1.3563	1.2180	2.3554	3.6242	2.1237	2.1317	2.1317	2.6133	2.6133	4.4653	3.9022	3.9022
O3	2.3502	1.3563		2.2698	1.4440	2.3701	3.2731	2.6118	2.6118	2.0720	2.0720	3.3249	2.6207	2.6207
O4	2.4273	1.2180	2.2698		2.6458	4.1246	2.5765	3.1205	3.1205	2.5918	2.5918	4.7476	4.5437	4.5437
C5	3.6826	2.3554	1.4440	2.6458		1.5083	4.4712	3.9763	3.9763	1.0888	1.0888	2.1389	2.1464	2.1464
C6	4.7064	3.6242	2.3701	4.1246	1.5083		5.6415	4.8061	4.8061	2.1682	2.1682	1.0880	1.0866	1.0866
H7	1.0836	2.1237	3.2731	2.5765	4.4712	5.6415		1.7795	1.7795	4.6566	4.6566	6.5518	5.7779	5.7779
H8	1.0869	2.1317	2.6118	3.1205	3.9763	4.8061	1.7795		1.7558	4.1889	4.5424	5.8136	4.9698	4.6477
H9	1.0869	2.1317	2.6118	3.1205	3.9763	4.8061	1.7795	1.7558		4.5424	4.1889	5.8136	4.6477	4.9698
H10	4.0023	2.6133	2.0720	2.5918	1.0888	2.1682	4.6566	4.1889	4.5424		1.7580	2.5090	3.0657	2.5092
H11	4.0023	2.6133	2.0720	2.5918	1.0888	2.1682	4.6566	4.5424	4.1889	1.7580		2.5090	2.5092	3.0657
H12	5.6744	4.4653	3.3249	4.7476	2.1389	1.0880	6.5518	5.8136	5.8136	2.5090	2.5090		1.7658	1.7658
H13	4.7970	3.9022	2.6207	4.5437	2.1464	1.0866	5.7779	4.9698	4.6477	3.0657	2.5092	1.7658		1.7647
H14	4.7970	3.9022	2.6207	4.5437	2.1464	1.0866	5.7779	4.6477	4.9698	2.5092	3.0657	1.7658	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.452	C1	C2	O4	125.942
C2	C1	H7	109.308	C2	C1	H8	109.742
C2	C1	H9	109.742	C2	O3	C5	114.477
O3	C2	O4	123.606	O3	C5	C6	106.779
O3	C5	H10	108.972	O3	C5	H11	108.972
C5	C6	H12	109.887	C5	C6	H13	110.568
C5	C6	H14	110.568	C6	C5	H10	112.192
C6	C5	H11	112.192	H7	C1	H8	110.143
H7	C1	H9	110.143	H8	C1	H9	107.744
H10	C5	H11	107.663	H12	C6	H13	108.587
H12	C6	H14	108.587	H13	C6	H14	108.587

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

using model chemistry: MP2=FULL/6-31G**

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/6-31G**

States and conformations

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