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	hartrees
Energy at 0K	-307.162471
Energy at 298.15K
HF Energy	-305.993108
Nuclear repulsion energy	244.106394

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'	3217	3217	3.36	49.71	0.70	0.82
2	A'	3172	3172	14.12	58.49	0.72	0.84
3	A'	3095	3095	14.05	5.27	0.69	0.82
4	A'	3094	3094	1.64	251.48	0.01	0.02
5	A'	3081	3081	12.66	184.31	0.00	0.01
6	A'	1783	1783	233.51	12.44	0.23	0.38
7	A'	1535	1535	6.30	0.84	0.70	0.82
8	A'	1517	1517	2.85	6.75	0.75	0.86
9	A'	1491	1491	15.03	5.74	0.60	0.75
10	A'	1435	1435	4.70	0.80	0.66	0.79
11	A'	1413	1413	54.80	0.05	0.74	0.85
12	A'	1395	1395	15.95	0.56	0.52	0.69
13	A'	1280	1280	408.28	0.96	0.73	0.84
14	A'	1149	1149	7.41	9.24	0.09	0.17
15	A'	1096	1096	100.32	2.11	0.70	0.82
16	A'	1022	1022	10.42	1.87	0.16	0.27
17	A'	961	961	7.86	2.27	0.14	0.25
18	A'	867	867	12.20	8.57	0.15	0.27
19	A'	641	641	6.56	7.71	0.19	0.33
20	A'	430	430	0.68	0.25	0.72	0.83
21	A'	371	371	8.45	3.08	0.21	0.34
22	A'	197	197	5.37	0.38	0.52	0.68
23	A"	3181	3181	21.67	20.06	0.75	0.86
24	A"	3179	3179	2.10	45.77	0.75	0.86
25	A"	3146	3146	5.73	63.45	0.75	0.86
26	A"	1507	1507	6.58	4.71	0.75	0.86
27	A"	1499	1499	8.09	3.89	0.75	0.86
28	A"	1308	1308	1.10	3.18	0.75	0.86
29	A"	1189	1189	3.28	0.37	0.75	0.86
30	A"	1073	1073	4.12	0.05	0.75	0.86
31	A"	819	819	0.59	0.21	0.75	0.86
32	A"	608	608	4.27	0.31	0.75	0.86
33	A"	270	270	0.98	0.01	0.75	0.86
34	A"	155	155	4.85	0.02	0.75	0.86
35	A"	76	76	0.20	0.19	0.75	0.86
36	A"	51	51	0.34	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.044	0.000
C2	-0.909	-0.508	0.000
O3	0.000	0.491	0.000
O4	-0.611	-1.683	0.000
C5	1.375	0.053	0.000
C6	2.232	1.294	0.000
H7	-3.017	-0.775	0.000
H8	-2.451	0.669	0.879
H9	-2.451	0.669	-0.879
H10	1.545	-0.565	0.881
H11	1.545	-0.565	-0.881
H12	3.285	1.013	0.000
H13	2.035	1.898	-0.884
H14	2.035	1.898	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5009	2.3481	2.4193	3.6801	4.7066	1.0844	1.0883	1.0883	3.9962	3.9962	5.6731	4.8020	4.8020
C2	1.5009		1.3513	1.2123	2.3523	3.6221	2.1240	2.1293	2.1293	2.6083	2.6083	4.4613	3.9041	3.9041
O3	2.3481	1.3513		2.2586	1.4431	2.3724	3.2715	2.6096	2.6096	2.0685	2.0685	3.3258	2.6273	2.6273
O4	2.4193	1.2123	2.2586		2.6379	4.1169	2.5717	3.1129	3.1129	2.5834	2.5834	4.7373	4.5395	4.5395
C5	3.6801	2.3523	1.4431	2.6379		1.5084	4.4690	3.9734	3.9734	1.0896	1.0896	2.1372	2.1494	2.1494
C6	4.7066	3.6221	2.3724	4.1169	1.5084		5.6420	4.8057	4.8057	2.1692	2.1692	1.0893	1.0883	1.0883
H7	1.0844	2.1240	3.2715	2.5717	4.4690	5.6420		1.7822	1.7822	4.6506	4.6506	6.5498	5.7833	5.7833
H8	1.0883	2.1293	2.6096	3.1129	3.9734	4.8057	1.7822		1.7575	4.1818	4.5370	5.8125	4.9743	4.6515
H9	1.0883	2.1293	2.6096	3.1129	3.9734	4.8057	1.7822	1.7575		4.5370	4.1818	5.8125	4.6515	4.9743
H10	3.9962	2.6083	2.0685	2.5834	1.0896	2.1692	4.6506	4.1818	4.5370		1.7621	2.5083	3.0693	2.5109
H11	3.9962	2.6083	2.0685	2.5834	1.0896	2.1692	4.6506	4.5370	4.1818	1.7621		2.5083	2.5109	3.0693
H12	5.6731	4.4613	3.3258	4.7373	2.1372	1.0893	6.5498	5.8125	5.8125	2.5083	2.5083		1.7677	1.7677
H13	4.8020	3.9041	2.6273	4.5395	2.1494	1.0883	5.7833	4.9743	4.6515	3.0693	2.5109	1.7677		1.7680
H14	4.8020	3.9041	2.6273	4.5395	2.1494	1.0883	5.7833	4.6515	4.9743	2.5109	3.0693	1.7677	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.721	C1	C2	O4	125.835
C2	C1	H7	109.430	C2	C1	H8	109.618
C2	C1	H9	109.618	C2	O3	C5	114.626
O3	C2	O4	123.444	O3	C5	C6	106.967
O3	C5	H10	108.712	O3	C5	H11	108.712
C5	C6	H12	109.659	C5	C6	H13	110.695
C5	C6	H14	110.695	C6	C5	H10	112.214
C6	C5	H11	112.214	H7	C1	H8	110.227
H7	C1	H9	110.227	H8	C1	H9	107.699
H10	C5	H11	107.923	H12	C6	H13	108.545
H12	C6	H14	108.545	H13	C6	H14	108.644

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

using model chemistry: MP2/daug-cc-pVTZ

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-pVTZ

States and conformations

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