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	hartrees
Energy at 0K	-306.768759
Energy at 298.15K
HF Energy	-305.872882
Nuclear repulsion energy	243.404087

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'	3251	3063	4.40	58.01	0.71	0.83
2	A'	3211	3025	16.25	64.04	0.74	0.85
3	A'	3130	2949	15.14	17.72	0.34	0.51
4	A'	3129	2948	0.36	153.80	0.02	0.04
5	A'	3120	2940	11.68	98.37	0.01	0.03
6	A'	1834	1728	184.72	5.60	0.35	0.52
7	A'	1582	1490	4.67	1.04	0.75	0.86
8	A'	1563	1472	3.07	22.50	0.75	0.86
9	A'	1537	1448	13.04	14.66	0.74	0.85
10	A'	1484	1399	5.64	5.29	0.75	0.86
11	A'	1459	1375	67.81	2.46	0.75	0.86
12	A'	1434	1351	6.70	2.76	0.64	0.78
13	A'	1319	1242	410.03	0.28	0.65	0.79
14	A'	1177	1109	11.78	7.32	0.18	0.30
15	A'	1118	1053	91.29	3.31	0.67	0.80
16	A'	1047	987	7.80	1.69	0.25	0.40
17	A'	975	919	8.46	2.05	0.29	0.45
18	A'	883	832	11.65	10.18	0.29	0.45
19	A'	650	612	7.70	7.55	0.33	0.50
20	A'	436	411	0.64	0.39	0.71	0.83
21	A'	377	355	9.63	2.58	0.33	0.49
22	A'	200	188	5.05	0.27	0.63	0.77
23	A"	3223	3037	23.43	27.83	0.75	0.86
24	A"	3216	3030	3.17	52.75	0.75	0.86
25	A"	3185	3001	11.71	64.97	0.75	0.86
26	A"	1552	1462	6.13	18.97	0.75	0.86
27	A"	1539	1450	9.01	16.16	0.75	0.86
28	A"	1331	1254	0.30	11.46	0.75	0.86
29	A"	1223	1152	4.59	2.06	0.75	0.86
30	A"	1098	1034	6.23	1.00	0.75	0.86
31	A"	839	791	0.57	0.19	0.75	0.86
32	A"	610	575	5.50	1.46	0.75	0.86
33	A"	282	266	1.04	0.01	0.75	0.86
34	A"	158	149	4.70	0.01	0.75	0.86
35	A"	78	74	0.06	0.35	0.75	0.86
36	A"	66	62	0.77	0.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.307	0.037	0.000
C2	-0.908	-0.515	0.000
O3	0.000	0.492	0.000
O4	-0.606	-1.696	0.000
C5	1.380	0.059	0.000
C6	2.226	1.310	0.000
H7	-3.018	-0.787	0.000
H8	-2.458	0.663	0.882
H9	-2.458	0.663	-0.882
H10	1.558	-0.561	0.883
H11	1.558	-0.561	-0.883
H12	3.286	1.044	0.000
H13	2.019	1.913	-0.886
H14	2.019	1.913	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5033	2.3512	2.4275	3.6869	4.7082	1.0888	1.0921	1.0921	4.0086	4.0086	5.6829	4.7982	4.7982
C2	1.5033		1.3562	1.2186	2.3596	3.6273	2.1275	2.1371	2.1371	2.6196	2.6196	4.4750	3.9059	3.9059
O3	2.3512	1.3562		2.2702	1.4463	2.3717	3.2782	2.6169	2.6169	2.0767	2.0767	3.3323	2.6238	2.6238
O4	2.4275	1.2186	2.2702		2.6510	4.1304	2.5774	3.1258	3.1258	2.5984	2.5984	4.7602	4.5505	4.5505
C5	3.6869	2.3596	1.4463	2.6510		1.5101	4.4793	3.9841	3.9841	1.0932	1.0932	2.1453	2.1521	2.1521
C6	4.7082	3.6273	2.3717	4.1304	1.5101		5.6483	4.8099	4.8099	2.1740	2.1740	1.0933	1.0917	1.0917
H7	1.0888	2.1275	3.2782	2.5774	4.4793	5.6483		1.7876	1.7876	4.6659	4.6659	6.5652	5.7843	5.7843
H8	1.0921	2.1371	2.6169	3.1258	3.9841	4.8099	1.7876		1.7635	4.1978	4.5536	5.8239	4.9735	4.6486
H9	1.0921	2.1371	2.6169	3.1258	3.9841	4.8099	1.7876	1.7635		4.5536	4.1978	5.8239	4.6486	4.9735
H10	4.0086	2.6196	2.0767	2.5984	1.0932	2.1740	4.6659	4.1978	4.5536		1.7656	2.5182	3.0762	2.5165
H11	4.0086	2.6196	2.0767	2.5984	1.0932	2.1740	4.6659	4.5536	4.1978	1.7656		2.5182	2.5165	3.0762
H12	5.6829	4.4750	3.3323	4.7602	2.1453	1.0933	6.5652	5.8239	5.8239	2.5182	2.5182		1.7739	1.7739
H13	4.7982	3.9059	2.6238	4.5505	2.1521	1.0917	5.7843	4.9735	4.6486	3.0762	2.5165	1.7739		1.7727
H14	4.7982	3.9059	2.6238	4.5505	2.1521	1.0917	5.7843	4.6486	4.9735	2.5165	3.0762	1.7739	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.509	C1	C2	O4	125.888
C2	C1	H7	109.272	C2	C1	H8	109.840
C2	C1	H9	109.840	C2	O3	C5	114.659
O3	C2	O4	123.603	O3	C5	C6	106.668
O3	C5	H10	108.929	O3	C5	H11	108.929
C5	C6	H12	109.947	C5	C6	H13	110.583
C5	C6	H14	110.583	C6	C5	H10	112.262
C6	C5	H11	112.262	H7	C1	H8	110.098
H7	C1	H9	110.098	H8	C1	H9	107.676
H10	C5	H11	107.713	H12	C6	H13	108.552
H12	C6	H14	108.552	H13	C6	H14	108.566

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)