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	hartrees
Energy at 0K	-302.291964
Energy at 298.15K
HF Energy	-301.967179
Nuclear repulsion energy	237.005257

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'	3565	3109	0.21	29.32	0.75	0.85
2	A'	3561	3105	1.18	31.27	0.74	0.85
3	A'	3381	2948	1.24	37.32	0.01	0.03
4	A'	3376	2943	0.06	37.17	0.01	0.01
5	A'	3349	2920	6.42	28.22	0.16	0.28
6	A'	1837	1602	54.46	1.19	0.62	0.76
7	A'	1734	1512	2.37	3.54	0.74	0.85
8	A'	1710	1491	3.38	27.12	0.73	0.85
9	A'	1705	1487	6.52	10.33	0.75	0.86
10	A'	1614	1408	0.41	6.39	0.69	0.82
11	A'	1584	1381	2.98	3.96	0.73	0.84
12	A'	1534	1338	22.94	1.57	0.75	0.85
13	A'	1362	1188	269.42	3.45	0.35	0.52
14	A'	1260	1098	7.93	4.65	0.26	0.42
15	A'	1191	1038	2.94	4.93	0.74	0.85
16	A'	1097	956	14.15	2.18	0.21	0.35
17	A'	1009	880	2.33	3.60	0.69	0.81
18	A'	916	799	7.71	5.02	0.18	0.31
19	A'	625	545	9.08	7.80	0.36	0.53
20	A'	413	360	0.13	0.29	0.75	0.86
21	A'	367	320	4.46	2.48	0.41	0.58
22	A'	194	169	1.87	0.14	0.53	0.69
23	A"	3565	3108	1.68	21.33	0.75	0.86
24	A"	3554	3099	0.15	26.25	0.75	0.86
25	A"	3455	3013	8.31	24.15	0.75	0.86
26	A"	1719	1499	1.19	17.45	0.75	0.86
27	A"	1707	1488	2.08	16.60	0.75	0.86
28	A"	1405	1225	0.07	13.22	0.75	0.86
29	A"	1263	1102	6.47	2.99	0.75	0.86
30	A"	1141	995	4.70	1.24	0.75	0.86
31	A"	885	771	0.18	0.02	0.75	0.86
32	A"	547	477	3.91	0.66	0.75	0.86
33	A"	228	199	0.87	0.01	0.75	0.86
34	A"	143	125	2.27	0.01	0.75	0.86
35	A"	76	66	0.02	0.19	0.75	0.86
36	A"	60	53	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	1.544	-0.615	0.896
H11	1.544	-0.615	-0.896
H12	3.394	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		1.5632	2.4336	2.5269	3.7587	4.8748	1.1028	1.1035	1.1035	4.0943	4.0943	5.8338	4.9911	4.9911
C2	1.5632		1.4215	1.2566	2.3714	3.7234	2.1944	2.2035	2.2035	2.6450	2.6450	4.5486	4.0260	4.0260
O3	2.4336	1.4215		2.3646	1.4725	2.4456	3.3807	2.7005	2.7005	2.1391	2.1391	3.4077	2.7009	2.7009
O4	2.5269	1.2566	2.3646		2.6486	4.1928	2.6887	3.2279	3.2279	2.5926	2.5926	4.7817	4.6414	4.6414
C5	3.7587	2.3714	1.4725	2.6486		1.5589	4.5575	4.0742	4.0742	1.1146	1.1146	2.1944	2.2020	2.2020
C6	4.8748	3.7234	2.4456	4.1928	1.5589		5.8172	5.0021	5.0021	2.2096	2.2096	1.1033	1.1029	1.1029
H7	1.1028	2.1944	3.3807	2.6887	4.5575	5.8172		1.7981	1.7981	4.7553	4.7553	6.7121	5.9815	5.9815
H8	1.1035	2.2035	2.7005	3.2279	4.0742	5.0021	1.7981		1.7899	4.2996	4.6577	6.0056	5.1903	4.8717
H9	1.1035	2.2035	2.7005	3.2279	4.0742	5.0021	1.7981	1.7899		4.6577	4.2996	6.0056	4.8717	5.1903
H10	4.0943	2.6450	2.1391	2.5926	1.1146	2.2096	4.7553	4.2996	4.6577		1.7921	2.5383	3.1240	2.5592
H11	4.0943	2.6450	2.1391	2.5926	1.1146	2.2096	4.7553	4.6577	4.2996	1.7921		2.5383	2.5592	3.1240
H12	5.8338	4.5486	3.4077	4.7817	2.1944	1.1033	6.7121	6.0056	6.0056	2.5383	2.5383		1.7927	1.7927
H13	4.9911	4.0260	2.7009	4.6414	2.2020	1.1029	5.9815	5.1903	4.8717	3.1240	2.5592	1.7927		1.7912
H14	4.9911	4.0260	2.7009	4.6414	2.2020	1.1029	5.9815	4.8717	5.1903	2.5592	3.1240	1.7927	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	109.152	C1	C2	O4	126.968
C2	C1	H7	109.583	C2	C1	H8	110.249
C2	C1	H9	110.249	C2	O3	C5	110.041
O3	C2	O4	123.880	O3	C5	C6	107.525
O3	C5	H10	110.794	O3	C5	H11	110.794
C5	C6	H12	109.853	C5	C6	H13	110.469
C5	C6	H14	110.469	C6	C5	H10	110.373
C6	C5	H11	110.373	H7	C1	H8	109.171
H7	C1	H9	109.171	H8	C1	H9	108.389
H10	C5	H11	107.009	H12	C6	H13	108.702
H12	C6	H14	108.702	H13	C6	H14	108.597

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

using model chemistry: MP2/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/STO-3G

States and conformations

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