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	hartrees
Energy at 0K	-306.883246
Energy at 298.15K
HF Energy	-305.894898
Nuclear repulsion energy	244.006170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3050	6.33
2	A'	3225	3005	23.81
3	A'	3159	2943	16.85
4	A'	3153	2937	2.34
5	A'	3138	2924	17.04
6	A'	1880	1751	293.18
7	A'	1578	1470	3.68
8	A'	1553	1447	3.70
9	A'	1531	1426	12.12
10	A'	1491	1389	3.70
11	A'	1465	1365	82.90
12	A'	1442	1343	7.34
13	A'	1342	1250	442.48
14	A'	1180	1099	15.37
15	A'	1134	1056	76.85
16	A'	1052	980	7.69
17	A'	986	918	6.82
18	A'	898	837	12.51
19	A'	657	612	9.59
20	A'	441	411	0.94
21	A'	380	354	9.20
22	A'	200	186	5.94
23	A"	3237	3016	36.27
24	A"	3235	3014	4.59
25	A"	3208	2989	6.17
26	A"	1540	1434	6.53
27	A"	1529	1425	8.33
28	A"	1332	1241	1.29
29	A"	1221	1137	4.16
30	A"	1100	1024	4.17
31	A"	835	778	0.05
32	A"	619	577	7.46
33	A"	270	252	1.11
34	A"	152	142	5.63
35	A"	73	68	0.10
36	A"	58	54	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.308	0.021	0.000
C2	-0.905	-0.519	0.000
O3	0.000	0.479	0.000
O4	-0.604	-1.691	0.000
C5	1.381	0.069	0.000
C6	2.220	1.327	0.000
H7	-3.009	-0.805	0.000
H8	-2.460	0.643	0.879
H9	-2.460	0.643	-0.879
H10	1.565	-0.544	0.880
H11	1.565	-0.544	-0.880
H12	3.276	1.062	0.000
H13	2.013	1.926	-0.883
H14	2.013	1.926	0.883

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5034	2.3533	2.4156	3.6898	4.7127	1.0834	1.0872	1.0872	4.0118	4.0118	5.6801	4.8044	4.8044
C2	1.5034		1.3473	1.2101	2.3606	3.6293	2.1233	2.1307	2.1307	2.6221	2.6221	4.4696	3.9080	3.9080
O3	2.3533	1.3473		2.2525	1.4410	2.3762	3.2717	2.6175	2.6175	2.0663	2.0663	3.3271	2.6316	2.6316
O4	2.4156	1.2101	2.2525		2.6527	4.1328	2.5630	3.1087	3.1087	2.6065	2.6065	4.7570	4.5507	4.5507
C5	3.6898	2.3606	1.4410	2.6527		1.5120	4.4764	3.9823	3.9823	1.0879	1.0879	2.1390	2.1514	2.1514
C6	4.7127	3.6293	2.3762	4.1328	1.5120		5.6469	4.8108	4.8108	2.1686	2.1686	1.0883	1.0872	1.0872
H7	1.0834	2.1233	3.2717	2.5630	4.4764	5.6469		1.7805	1.7805	4.6650	4.6650	6.5562	5.7844	5.7844
H8	1.0872	2.1307	2.6175	3.1087	3.9823	4.8108	1.7805		1.7574	4.1963	4.5500	5.8178	4.9760	4.6536
H9	1.0872	2.1307	2.6175	3.1087	3.9823	4.8108	1.7805	1.7574		4.5500	4.1963	5.8178	4.6536	4.9760
H10	4.0118	2.6221	2.0663	2.6065	1.0879	2.1686	4.6650	4.1963	4.5500		1.7604	2.5061	3.0675	2.5099
H11	4.0118	2.6221	2.0663	2.6065	1.0879	2.1686	4.6650	4.5500	4.1963	1.7604		2.5061	2.5099	3.0675
H12	5.6801	4.4696	3.3271	4.7570	2.1390	1.0883	6.5562	5.8178	5.8178	2.5061	2.5061		1.7664	1.7664
H13	4.8044	3.9080	2.6316	4.5507	2.1514	1.0872	5.7844	4.9760	4.6536	3.0675	2.5099	1.7664		1.7666
H14	4.8044	3.9080	2.6316	4.5507	2.1514	1.0872	5.7844	4.6536	4.9760	2.5099	3.0675	1.7664	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.159	C1	C2	O4	125.458
C2	C1	H7	109.257	C2	C1	H8	109.623
C2	C1	H9	109.623	C2	O3	C5	115.652
O3	C2	O4	123.383	O3	C5	C6	107.138
O3	C5	H10	108.789	O3	C5	H11	108.789
C5	C6	H12	109.618	C5	C6	H13	110.667
C5	C6	H14	110.667	C6	C5	H10	112.015
C6	C5	H11	112.015	H7	C1	H8	110.232
H7	C1	H9	110.232	H8	C1	H9	107.856
H10	C5	H11	108.013	H12	C6	H13	108.577
H12	C6	H14	108.577	H13	C6	H14	108.678

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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