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	hartrees
Energy at 0K	-302.293946
Energy at 298.15K
HF Energy	-301.967243
Nuclear repulsion energy	237.032100

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'	3566	3170	0.20	29.31	0.75	0.85
2	A'	3562	3166	1.17	31.25	0.74	0.85
3	A'	3382	3006	1.23	37.32	0.01	0.03
4	A'	3376	3001	0.06	37.16	0.01	0.01
5	A'	3350	2978	6.42	28.18	0.16	0.28
6	A'	1838	1633	54.46	1.19	0.62	0.76
7	A'	1735	1542	2.38	3.52	0.74	0.85
8	A'	1710	1520	3.38	27.05	0.73	0.85
9	A'	1706	1516	6.51	10.42	0.75	0.86
10	A'	1615	1435	0.42	6.40	0.69	0.82
11	A'	1584	1408	3.01	3.97	0.73	0.84
12	A'	1534	1364	22.92	1.57	0.75	0.85
13	A'	1362	1211	269.31	3.45	0.35	0.52
14	A'	1260	1120	7.94	4.65	0.26	0.42
15	A'	1191	1059	2.91	4.92	0.74	0.85
16	A'	1097	975	14.11	2.17	0.21	0.35
17	A'	1010	897	2.33	3.60	0.69	0.81
18	A'	916	815	7.72	5.02	0.18	0.31
19	A'	625	556	9.08	7.79	0.36	0.53
20	A'	413	368	0.13	0.29	0.75	0.86
21	A'	367	326	4.46	2.48	0.41	0.58
22	A'	194	173	1.87	0.14	0.52	0.69
23	A"	3566	3170	1.67	21.33	0.75	0.86
24	A"	3555	3160	0.15	26.24	0.75	0.86
25	A"	3456	3072	8.30	24.13	0.75	0.86
26	A"	1720	1529	1.19	17.45	0.75	0.86
27	A"	1707	1517	2.08	16.59	0.75	0.86
28	A"	1405	1249	0.07	13.21	0.75	0.86
29	A"	1264	1123	6.47	2.99	0.75	0.86
30	A"	1141	1014	4.71	1.24	0.75	0.86
31	A"	885	787	0.18	0.02	0.75	0.86
32	A"	547	487	3.90	0.66	0.75	0.86
33	A"	228	203	0.87	0.01	0.75	0.86
34	A"	143	127	2.27	0.01	0.75	0.86
35	A"	76	68	0.02	0.18	0.75	0.86
36	A"	60	54	0.03	0.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.388	0.095	0.000
C2	-0.942	-0.500	0.000
O3	0.000	0.564	0.000
O4	-0.626	-1.716	0.000
C5	1.370	0.025	0.000
C6	2.351	1.236	0.000
H7	-3.125	-0.725	0.000
H8	-2.543	0.721	0.895
H9	-2.543	0.721	-0.895
H10	1.543	-0.615	0.896
H11	1.543	-0.615	-0.896
H12	3.393	0.874	0.000
H13	2.194	1.860	-0.896
H14	2.194	1.860	0.896

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5629	2.4333	2.5265	3.7583	4.8742	1.1027	1.1034	1.1034	4.0938	4.0938	5.8331	4.9905	4.9905
C2	1.5629		1.4214	1.2566	2.3712	3.7230	2.1941	2.2032	2.2032	2.6448	2.6448	4.5481	4.0256	4.0256
O3	2.4333	1.4214		2.3644	1.4723	2.4452	3.3804	2.7002	2.7002	2.1389	2.1389	3.4074	2.7006	2.7006
O4	2.5265	1.2566	2.3644		2.6483	4.1923	2.6884	3.2276	3.2276	2.5923	2.5923	4.7812	4.6409	4.6409
C5	3.7583	2.3712	1.4723	2.6483		1.5586	4.5570	4.0738	4.0738	1.1145	1.1145	2.1941	2.2017	2.2017
C6	4.8742	3.7230	2.4452	4.1923	1.5586		5.8165	5.0015	5.0015	2.2093	2.2093	1.1032	1.1028	1.1028
H7	1.1027	2.1941	3.3804	2.6884	4.5570	5.8165		1.7979	1.7979	4.7548	4.7548	6.7114	5.9809	5.9809
H8	1.1034	2.2032	2.7002	3.2276	4.0738	5.0015	1.7979		1.7897	4.2992	4.6572	6.0050	5.1899	4.8713
H9	1.1034	2.2032	2.7002	3.2276	4.0738	5.0015	1.7979	1.7897		4.6572	4.2992	6.0050	4.8713	5.1899
H10	4.0938	2.6448	2.1389	2.5923	1.1145	2.2093	4.7548	4.2992	4.6572		1.7919	2.5380	3.1236	2.5589
H11	4.0938	2.6448	2.1389	2.5923	1.1145	2.2093	4.7548	4.6572	4.2992	1.7919		2.5380	2.5589	3.1236
H12	5.8331	4.5481	3.4074	4.7812	2.1941	1.1032	6.7114	6.0050	6.0050	2.5380	2.5380		1.7925	1.7925
H13	4.9905	4.0256	2.7006	4.6409	2.2017	1.1028	5.9809	5.1899	4.8713	3.1236	2.5589	1.7925		1.7910
H14	4.9905	4.0256	2.7006	4.6409	2.2017	1.1028	5.9809	4.8713	5.1899	2.5589	3.1236	1.7925	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.156	C1	C2	O4	126.968
C2	C1	H7	109.587	C2	C1	H8	110.254
C2	C1	H9	110.254	C2	O3	C5	110.044
O3	C2	O4	123.877	O3	C5	C6	107.530
O3	C5	H10	110.795	O3	C5	H11	110.795
C5	C6	H12	109.858	C5	C6	H13	110.474
C5	C6	H14	110.474	C6	C5	H10	110.374
C6	C5	H11	110.374	H7	C1	H8	109.166
H7	C1	H9	109.166	H8	C1	H9	108.384
H10	C5	H11	107.001	H12	C6	H13	108.697
H12	C6	H14	108.697	H13	C6	H14	108.593

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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