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	hartrees
Energy at 0K	-306.885016
Energy at 298.15K
HF Energy	-305.913436
Nuclear repulsion energy	242.220438

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'	3215	3083	4.95	51.91	0.70	0.82
2	A'	3170	3040	17.72	60.75	0.72	0.84
3	A'	3095	2968	16.81	91.22	0.05	0.09
4	A'	3087	2960	1.96	182.80	0.00	0.00
5	A'	3075	2949	15.18	169.01	0.01	0.01
6	A'	1762	1690	225.21	12.35	0.26	0.42
7	A'	1508	1446	5.05	1.06	0.66	0.80
8	A'	1490	1429	2.65	6.71	0.74	0.85
9	A'	1462	1402	13.36	5.92	0.62	0.76
10	A'	1419	1361	3.92	1.34	0.60	0.75
11	A'	1390	1333	66.10	0.07	0.70	0.83
12	A'	1372	1315	15.33	0.51	0.57	0.73
13	A'	1263	1211	384.17	0.91	0.75	0.86
14	A'	1139	1092	3.75	9.70	0.10	0.17
15	A'	1083	1039	106.67	2.84	0.59	0.74
16	A'	1009	968	13.08	1.77	0.13	0.23
17	A'	952	913	14.03	2.41	0.13	0.22
18	A'	854	819	12.80	8.83	0.16	0.27
19	A'	636	610	6.79	8.20	0.20	0.33
20	A'	424	407	0.73	0.32	0.68	0.81
21	A'	367	352	8.27	3.26	0.21	0.35
22	A'	196	188	5.31	0.39	0.55	0.71
23	A"	3180	3050	28.71	17.37	0.75	0.86
24	A"	3177	3046	3.64	48.23	0.75	0.86
25	A"	3151	3021	5.66	69.14	0.75	0.86
26	A"	1479	1418	6.10	5.01	0.75	0.86
27	A"	1471	1411	7.54	4.21	0.75	0.86
28	A"	1289	1236	1.12	3.44	0.75	0.86
29	A"	1174	1126	3.07	0.40	0.75	0.86
30	A"	1053	1009	3.64	0.06	0.75	0.86
31	A"	811	778	0.43	0.20	0.75	0.86
32	A"	598	574	4.31	0.37	0.75	0.86
33	A"	270	259	0.95	0.02	0.75	0.86
34	A"	154	148	4.84	0.02	0.75	0.86
35	A"	80	76	0.22	0.20	0.75	0.86
36	A"	49	47	0.34	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.322	0.045	0.000
C2	-0.917	-0.509	0.000
O3	0.000	0.499	0.000
O4	-0.616	-1.694	0.000
C5	1.385	0.052	0.000
C6	2.250	1.298	0.000
H7	-3.037	-0.786	0.000
H8	-2.471	0.675	0.889
H9	-2.471	0.675	-0.889
H10	1.552	-0.572	0.891
H11	1.552	-0.572	-0.891
H12	3.312	1.008	0.000
H13	2.055	1.909	-0.894
H14	2.055	1.909	0.894

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5095	2.3657	2.4358	3.7063	4.7409	1.0961	1.1000	1.1000	4.0224	4.0224	5.7159	4.8406	4.8406
C2	1.5095		1.3628	1.2227	2.3693	3.6471	2.1380	2.1460	2.1460	2.6259	2.6259	4.4935	3.9345	3.9345
O3	2.3657	1.3628		2.2775	1.4549	2.3882	3.2978	2.6316	2.6316	2.0857	2.0857	3.3513	2.6478	2.6478
O4	2.4358	1.2227	2.2775		2.6549	4.1434	2.5865	3.1376	3.1376	2.5980	2.5980	4.7674	4.5728	4.5728
C5	3.7063	2.3693	1.4549	2.6549		1.5177	4.5006	4.0052	4.0052	1.1007	1.1007	2.1518	2.1671	2.1671
C6	4.7409	3.6471	2.3882	4.1434	1.5177		5.6836	4.8442	4.8442	2.1867	2.1867	1.1011	1.0999	1.0999
H7	1.0961	2.1380	3.2978	2.5865	4.5006	5.6836		1.8015	1.8015	4.6799	4.6799	6.5982	5.8303	5.8303
H8	1.1000	2.1460	2.6316	3.1376	4.0052	4.8442	1.8015		1.7774	4.2118	4.5723	5.8604	5.0182	4.6908
H9	1.1000	2.1460	2.6316	3.1376	4.0052	4.8442	1.8015	1.7774		4.5723	4.2118	5.8604	4.6908	5.0182
H10	4.0224	2.6259	2.0857	2.5980	1.1007	2.1867	4.6799	4.2118	4.5723		1.7816	2.5278	3.0976	2.5317
H11	4.0224	2.6259	2.0857	2.5980	1.1007	2.1867	4.6799	4.5723	4.2118	1.7816		2.5278	2.5317	3.0976
H12	5.7159	4.4935	3.3513	4.7674	2.1518	1.1011	6.5982	5.8604	5.8604	2.5278	2.5278		1.7866	1.7866
H13	4.8406	3.9345	2.6478	4.5728	2.1671	1.0999	5.8303	5.0182	4.6908	3.0976	2.5317	1.7866		1.7881
H14	4.8406	3.9345	2.6478	4.5728	2.1671	1.0999	5.8303	4.6908	5.0182	2.5317	3.0976	1.7866	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.793	C1	C2	O4	125.805
C2	C1	H7	109.248	C2	C1	H8	109.652
C2	C1	H9	109.652	C2	O3	C5	114.419
O3	C2	O4	123.403	O3	C5	C6	106.895
O3	C5	H10	108.604	O3	C5	H11	108.604
C5	C6	H12	109.474	C5	C6	H13	110.757
C5	C6	H14	110.757	C6	C5	H10	112.281
C6	C5	H11	112.281	H7	C1	H8	110.239
H7	C1	H9	110.239	H8	C1	H9	107.792
H10	C5	H11	108.061	H12	C6	H13	108.524
H12	C6	H14	108.524	H13	C6	H14	108.744

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

using model chemistry: MP2/aug-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/aug-cc-pVDZ

States and conformations

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