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	hartrees
Energy at 0K	-306.890940
Energy at 298.15K
HF Energy	-305.915250
Nuclear repulsion energy	242.255127

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'	3212	3212	5.08	52.33	0.70	0.82
2	A'	3166	3166	18.38	61.25	0.72	0.84
3	A'	3089	3089	16.99	79.83	0.06	0.11
4	A'	3083	3083	1.70	192.14	0.00	0.00
5	A'	3070	3070	15.25	179.85	0.01	0.01
6	A'	1764	1764	227.19	12.69	0.25	0.40
7	A'	1507	1507	5.21	0.82	0.69	0.81
8	A'	1487	1487	2.50	7.20	0.75	0.85
9	A'	1463	1463	13.31	5.88	0.61	0.76
10	A'	1416	1416	4.59	1.15	0.61	0.76
11	A'	1390	1390	68.65	0.10	0.75	0.86
12	A'	1370	1370	11.27	0.54	0.51	0.67
13	A'	1263	1263	384.86	0.99	0.75	0.86
14	A'	1137	1137	3.98	9.83	0.09	0.17
15	A'	1083	1083	107.81	2.76	0.59	0.74
16	A'	1009	1009	12.84	1.74	0.14	0.25
17	A'	952	952	13.45	2.48	0.12	0.22
18	A'	852	852	12.58	8.86	0.16	0.28
19	A'	636	636	6.60	8.31	0.19	0.32
20	A'	424	424	0.72	0.33	0.65	0.79
21	A'	366	366	8.07	3.32	0.21	0.34
22	A'	195	195	5.24	0.37	0.52	0.68
23	A"	3176	3176	28.57	17.89	0.75	0.86
24	A"	3173	3173	3.72	48.47	0.75	0.86
25	A"	3146	3146	5.65	69.12	0.75	0.86
26	A"	1478	1478	6.37	4.82	0.75	0.86
27	A"	1472	1472	7.23	4.43	0.75	0.86
28	A"	1285	1285	1.08	3.47	0.75	0.86
29	A"	1173	1173	3.13	0.41	0.75	0.86
30	A"	1053	1053	3.44	0.04	0.75	0.86
31	A"	805	805	0.42	0.22	0.75	0.86
32	A"	599	599	4.14	0.34	0.75	0.86
33	A"	262	262	0.99	0.01	0.75	0.86
34	A"	155	155	4.81	0.02	0.75	0.86
35	A"	75	75	0.25	0.21	0.75	0.86
36	A"	39	39	0.37	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.320	0.044	0.000
C2	-0.916	-0.511	0.000
O3	0.000	0.497	0.000
O4	-0.615	-1.696	0.000
C5	1.385	0.053	0.000
C6	2.248	1.302	0.000
H7	-3.038	-0.783	0.000
H8	-2.468	0.675	0.888
H9	-2.468	0.675	-0.888
H10	1.556	-0.570	0.890
H11	1.556	-0.570	-0.890
H12	3.310	1.015	0.000
H13	2.051	1.911	-0.894
H14	2.051	1.911	0.894

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5098	2.3642	2.4361	3.7054	4.7380	1.0953	1.0994	1.0994	4.0241	4.0241	5.7133	4.8363	4.8363
C2	1.5098		1.3624	1.2222	2.3697	3.6468	2.1391	2.1459	2.1459	2.6281	2.6281	4.4933	3.9332	3.9332
O3	2.3642	1.3624		2.2774	1.4543	2.3874	3.2969	2.6292	2.6292	2.0859	2.0859	3.3501	2.6465	2.6465
O4	2.4361	1.2222	2.2774		2.6572	4.1453	2.5891	3.1376	3.1376	2.6025	2.6025	4.7701	4.5734	4.5734
C5	3.7054	2.3697	1.4543	2.6572		1.5178	4.5016	4.0029	4.0029	1.1001	1.1001	2.1516	2.1664	2.1664
C6	4.7380	3.6468	2.3874	4.1453	1.5178		5.6822	4.8394	4.8394	2.1855	2.1855	1.1005	1.0993	1.0993
H7	1.0953	2.1391	3.2969	2.5891	4.5016	5.6822		1.8001	1.8001	4.6842	4.6842	6.5977	5.8270	5.8270
H8	1.0994	2.1459	2.6292	3.1376	4.0029	4.8394	1.8001		1.7757	4.2122	4.5722	5.8557	5.0121	4.6847
H9	1.0994	2.1459	2.6292	3.1376	4.0029	4.8394	1.8001	1.7757		4.5722	4.2122	5.8557	4.6847	5.0121
H10	4.0241	2.6281	2.0859	2.6025	1.1001	2.1855	4.6842	4.2122	4.5722		1.7807	2.5262	3.0958	2.5300
H11	4.0241	2.6281	2.0859	2.6025	1.1001	2.1855	4.6842	4.5722	4.2122	1.7807		2.5262	2.5300	3.0958
H12	5.7133	4.4933	3.3501	4.7701	2.1516	1.1005	6.5977	5.8557	5.8557	2.5262	2.5262		1.7855	1.7855
H13	4.8363	3.9332	2.6465	4.5734	2.1664	1.0993	5.8270	5.0121	4.6847	3.0958	2.5300	1.7855		1.7877
H14	4.8363	3.9332	2.6465	4.5734	2.1664	1.0993	5.8270	4.6847	5.0121	2.5300	3.0958	1.7855	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.688	C1	C2	O4	125.844
C2	C1	H7	109.367	C2	C1	H8	109.651
C2	C1	H9	109.651	C2	O3	C5	114.508
O3	C2	O4	123.469	O3	C5	C6	106.869
O3	C5	H10	108.693	O3	C5	H11	108.693
C5	C6	H12	109.492	C5	C6	H13	110.730
C5	C6	H14	110.730	C6	C5	H10	112.212
C6	C5	H11	112.212	H7	C1	H8	110.217
H7	C1	H9	110.217	H8	C1	H9	107.716
H10	C5	H11	108.059	H12	C6	H13	108.516
H12	C6	H14	108.516	H13	C6	H14	108.798

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

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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