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	hartrees
Energy at 0K	-306.807608
Energy at 298.15K
HF Energy	-305.885899
Nuclear repulsion energy	243.445490

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'	3279	3071	5.43	57.37	0.72	0.84
2	A'	3238	3033	17.79	63.31	0.74	0.85
3	A'	3152	2951	4.24	73.56	0.00	0.00
4	A'	3149	2949	13.89	106.15	0.07	0.13
5	A'	3141	2942	12.98	96.41	0.01	0.03
6	A'	1831	1715	182.04	5.70	0.36	0.53
7	A'	1577	1477	3.55	0.80	0.75	0.86
8	A'	1558	1459	2.28	21.69	0.75	0.86
9	A'	1532	1435	11.13	14.31	0.74	0.85
10	A'	1480	1386	4.41	4.70	0.75	0.86
11	A'	1452	1360	59.85	2.22	0.75	0.86
12	A'	1429	1338	10.33	2.30	0.63	0.78
13	A'	1312	1229	412.80	0.26	0.70	0.82
14	A'	1173	1098	10.17	7.32	0.17	0.29
15	A'	1115	1045	89.47	3.23	0.67	0.81
16	A'	1042	976	9.38	1.66	0.24	0.39
17	A'	972	911	7.95	2.03	0.29	0.44
18	A'	881	825	12.43	10.21	0.28	0.44
19	A'	647	606	7.95	7.60	0.33	0.50
20	A'	434	406	0.61	0.37	0.72	0.84
21	A'	375	351	9.32	2.58	0.33	0.49
22	A'	199	186	4.82	0.28	0.63	0.77
23	A"	3250	3044	25.18	29.52	0.75	0.86
24	A"	3244	3038	4.17	51.49	0.75	0.86
25	A"	3207	3003	13.79	62.14	0.75	0.86
26	A"	1547	1449	4.69	18.06	0.75	0.86
27	A"	1536	1439	7.16	15.45	0.75	0.86
28	A"	1327	1243	0.45	10.53	0.75	0.86
29	A"	1218	1141	4.47	2.01	0.75	0.86
30	A"	1091	1022	5.04	0.82	0.75	0.86
31	A"	834	781	0.25	0.17	0.75	0.86
32	A"	603	565	5.93	1.38	0.75	0.86
33	A"	281	264	1.01	0.01	0.75	0.86
34	A"	157	147	4.46	0.01	0.75	0.86
35	A"	74	69	0.03	0.32	0.75	0.86
36	A"	62	58	0.75	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.039	0.000
C2	-0.910	-0.514	0.000
O3	0.000	0.494	0.000
O4	-0.608	-1.696	0.000
C5	1.379	0.058	0.000
C6	2.230	1.306	0.000
H7	-3.018	-0.781	0.000
H8	-2.457	0.663	0.879
H9	-2.457	0.663	-0.879
H10	1.555	-0.560	0.880
H11	1.555	-0.560	-0.880
H12	3.285	1.035	0.000
H13	2.027	1.907	-0.883
H14	2.027	1.907	0.883

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5045	2.3530	2.4293	3.6877	4.7120	1.0847	1.0880	1.0880	4.0075	4.0075	5.6813	4.8022	4.8022
C2	1.5045		1.3582	1.2191	2.3592	3.6290	2.1257	2.1336	2.1336	2.6172	2.6172	4.4712	3.9068	3.9068
O3	2.3530	1.3582		2.2727	1.4464	2.3731	3.2768	2.6145	2.6145	2.0746	2.0746	3.3290	2.6235	2.6235
O4	2.4293	1.2191	2.2727		2.6503	4.1306	2.5782	3.1231	3.1231	2.5964	2.5964	4.7546	4.5495	4.5495
C5	3.6877	2.3592	1.4464	2.6503		1.5100	4.4769	3.9813	3.9813	1.0898	1.0898	2.1412	2.1487	2.1487
C6	4.7120	3.6290	2.3731	4.1306	1.5100		5.6481	4.8115	4.8115	2.1706	2.1706	1.0891	1.0878	1.0878
H7	1.0847	2.1257	3.2768	2.5782	4.4769	5.6481		1.7815	1.7815	4.6625	4.6625	6.5595	5.7842	5.7842
H8	1.0880	2.1336	2.6145	3.1231	3.9813	4.8115	1.7815		1.7580	4.1938	4.5477	5.8202	4.9751	4.6525
H9	1.0880	2.1336	2.6145	3.1231	3.9813	4.8115	1.7815	1.7580		4.5477	4.1938	5.8202	4.6525	4.9751
H10	4.0075	2.6172	2.0746	2.5964	1.0898	2.1706	4.6625	4.1938	4.5477		1.7598	2.5119	3.0689	2.5117
H11	4.0075	2.6172	2.0746	2.5964	1.0898	2.1706	4.6625	4.5477	4.1938	1.7598		2.5119	2.5117	3.0689
H12	5.6813	4.4712	3.3290	4.7546	2.1412	1.0891	6.5595	5.8202	5.8202	2.5119	2.5119		1.7678	1.7678
H13	4.8022	3.9068	2.6235	4.5495	2.1487	1.0878	5.7842	4.9751	4.6525	3.0689	2.5117	1.7678		1.7667
H14	4.8022	3.9068	2.6235	4.5495	2.1487	1.0878	5.7842	4.6525	4.9751	2.5117	3.0689	1.7678	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.452	C1	C2	O4	125.914
C2	C1	H7	109.291	C2	C1	H8	109.724
C2	C1	H9	109.724	C2	O3	C5	114.496
O3	C2	O4	123.634	O3	C5	C6	106.759
O3	C5	H10	108.961	O3	C5	H11	108.961
C5	C6	H12	109.879	C5	C6	H13	110.555
C5	C6	H14	110.555	C6	C5	H10	112.204
C6	C5	H11	112.204	H7	C1	H8	110.152
H7	C1	H9	110.152	H8	C1	H9	107.780
H10	C5	H11	107.682	H12	C6	H13	108.596
H12	C6	H14	108.596	H13	C6	H14	108.605

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

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

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