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	hartrees
Energy at 0K	-304.847529
Energy at 298.15K
HF Energy	-304.163317
Nuclear repulsion energy	238.527035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3154	3087
2	A'	3115	3049
3	A'	3057	2992
4	A'	3052	2987
5	A'	3045	2980
6	A'	1675	1639
7	A'	1591	1557
8	A'	1578	1544
9	A'	1547	1514
10	A'	1476	1445
11	A'	1450	1419
12	A'	1419	1389
13	A'	1225	1199
14	A'	1146	1122
15	A'	1050	1028
16	A'	1007	986
17	A'	900	881
18	A'	809	792
19	A'	610	597
20	A'	400	392
21	A'	349	342
22	A'	182	178
23	A"	3129	3063
24	A"	3123	3057
25	A"	3090	3024
26	A"	1567	1534
27	A"	1558	1525
28	A"	1316	1288
29	A"	1200	1175
30	A"	1103	1080
31	A"	846	828
32	A"	578	566
33	A"	261	256
34	A"	151	148
35	A"	72	71
36	A"	28	27

Atom	x (Å)	y (Å)	z (Å)
C1	-2.348	0.065	0.000
C2	-0.942	-0.534	0.000
O3	0.000	0.506	0.000
O4	-0.622	-1.735	0.000
C5	1.425	0.041	0.000
C6	2.265	1.329	0.000
H7	-3.082	-0.747	0.000
H8	-2.477	0.695	0.890
H9	-2.477	0.695	-0.890
H10	1.607	-0.576	0.890
H11	1.607	-0.576	-0.890
H12	3.336	1.086	0.000
H13	2.030	1.924	-0.892
H14	2.030	1.924	0.892

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5284	2.3892	2.4944	3.7737	4.7828	1.0946	1.0976	1.0976	4.1044	4.1044	5.7752	4.8393	4.8393
C2	1.5284		1.4028	1.2437	2.4361	3.7083	2.1508	2.1578	2.1578	2.7001	2.7001	4.5743	3.9580	3.9580
O3	2.3892	1.4028		2.3261	1.4994	2.4096	3.3271	2.6382	2.6382	2.1320	2.1320	3.3862	2.6318	2.6318
O4	2.4944	1.2437	2.3261		2.7107	4.2101	2.6513	3.1840	3.1840	2.6653	2.6653	4.8607	4.6064	4.6064
C5	3.7737	2.4361	1.4994	2.7107		1.5374	4.5759	4.0552	4.0552	1.0980	1.0980	2.1777	2.1692	2.1692
C6	4.7828	3.7083	2.4096	4.2101	1.5374		5.7356	4.8653	4.8653	2.2034	2.2034	1.0989	1.0971	1.0971
H7	1.0946	2.1508	3.3271	2.6513	4.5759	5.7356		1.7993	1.7993	4.7758	4.7758	6.6748	5.8363	5.8363
H8	1.0976	2.1578	2.6382	3.1840	4.0552	4.8653	1.7993		1.7792	4.2768	4.6322	5.8933	4.9991	4.6710
H9	1.0976	2.1578	2.6382	3.1840	4.0552	4.8653	1.7993	1.7792		4.6322	4.2768	5.8933	4.6710	4.9991
H10	4.1044	2.7001	2.1320	2.6653	1.0980	2.2034	4.7758	4.2768	4.6322		1.7796	2.5581	3.0989	2.5356
H11	4.1044	2.7001	2.1320	2.6653	1.0980	2.2034	4.7758	4.6322	4.2768	1.7796		2.5581	2.5356	3.0989
H12	5.7752	4.5743	3.3862	4.8607	2.1777	1.0989	6.6748	5.8933	5.8933	2.5581	2.5581		1.7899	1.7899
H13	4.8393	3.9580	2.6318	4.6064	2.1692	1.0971	5.8363	4.9991	4.6710	3.0989	2.5356	1.7899		1.7832
H14	4.8393	3.9580	2.6318	4.6064	2.1692	1.0971	5.8363	4.6710	4.9991	2.5356	3.0989	1.7899	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.119	C1	C2	O4	127.965
C2	C1	H7	109.044	C2	C1	H8	109.414
C2	C1	H9	109.414	C2	O3	C5	114.113
O3	C2	O4	122.917	O3	C5	C6	105.013
O3	C5	H10	109.358	O3	C5	H11	109.358
C5	C6	H12	110.274	C5	C6	H13	109.723
C5	C6	H14	109.723	C6	C5	H10	112.383
C6	C5	H11	112.383	H7	C1	H8	110.329
H7	C1	H9	110.329	H8	C1	H9	108.292
H10	C5	H11	108.264	H12	C6	H13	109.185
H12	C6	H14	109.185	H13	C6	H14	108.723

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

using model chemistry: MP4=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: MP4=FULL/3-21G

States and conformations

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