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	hartrees
Energy at 0K	-306.743909
Energy at 298.15K
HF Energy	-305.872582
Nuclear repulsion energy	243.174183

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'	3250	3065	4.51	58.22	0.71	0.83
2	A'	3210	3027	16.47	64.16	0.74	0.85
3	A'	3129	2951	15.44	24.46	0.26	0.41
4	A'	3128	2950	0.13	147.97	0.02	0.03
5	A'	3119	2941	11.81	98.05	0.01	0.03
6	A'	1829	1725	183.87	5.59	0.35	0.52
7	A'	1581	1491	4.54	1.04	0.75	0.86
8	A'	1562	1473	3.07	22.52	0.75	0.86
9	A'	1537	1449	13.07	14.69	0.74	0.85
10	A'	1483	1398	5.60	5.29	0.75	0.86
11	A'	1458	1374	66.20	2.42	0.75	0.86
12	A'	1432	1351	6.45	2.73	0.64	0.78
13	A'	1316	1241	410.23	0.29	0.66	0.79
14	A'	1175	1108	11.61	7.40	0.18	0.30
15	A'	1115	1052	93.01	3.37	0.67	0.80
16	A'	1046	986	7.94	1.71	0.25	0.40
17	A'	973	918	8.82	2.05	0.29	0.45
18	A'	882	831	11.72	10.31	0.29	0.45
19	A'	648	611	7.71	7.62	0.33	0.50
20	A'	435	411	0.64	0.39	0.71	0.83
21	A'	376	354	9.60	2.61	0.33	0.49
22	A'	199	188	5.04	0.27	0.63	0.77
23	A"	3222	3039	23.79	27.67	0.75	0.86
24	A"	3215	3032	3.26	52.85	0.75	0.86
25	A"	3184	3003	11.67	65.32	0.75	0.86
26	A"	1551	1463	6.04	18.97	0.75	0.86
27	A"	1538	1450	8.91	16.19	0.75	0.86
28	A"	1328	1253	0.28	11.46	0.75	0.86
29	A"	1222	1152	4.56	2.13	0.75	0.86
30	A"	1096	1034	6.09	1.03	0.75	0.86
31	A"	838	790	0.55	0.19	0.75	0.86
32	A"	606	572	5.56	1.45	0.75	0.86
33	A"	281	265	1.04	0.01	0.75	0.86
34	A"	158	149	4.72	0.01	0.75	0.86
35	A"	77	73	0.08	0.34	0.75	0.86
36	A"	65	62	0.74	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.037	0.000
C2	-0.909	-0.516	0.000
O3	0.000	0.493	0.000
O4	-0.607	-1.697	0.000
C5	1.382	0.059	0.000
C6	2.229	1.311	0.000
H7	-3.021	-0.788	0.000
H8	-2.460	0.663	0.882
H9	-2.460	0.663	-0.882
H10	1.559	-0.561	0.883
H11	1.559	-0.561	-0.883
H12	3.289	1.044	0.000
H13	2.022	1.914	-0.887
H14	2.022	1.914	0.887

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5051	2.3539	2.4301	3.6912	4.7135	1.0892	1.0925	1.0925	4.0125	4.0125	5.6882	4.8033	4.8033
C2	1.5051		1.3578	1.2197	2.3621	3.6311	2.1287	2.1387	2.1387	2.6219	2.6219	4.4787	3.9095	3.9095
O3	2.3539	1.3578		2.2725	1.4481	2.3742	3.2809	2.6194	2.6194	2.0784	2.0784	3.3349	2.6260	2.6260
O4	2.4301	1.2197	2.2725		2.6534	4.1344	2.5792	3.1283	3.1283	2.6006	2.6006	4.7638	4.5544	4.5544
C5	3.6912	2.3621	1.4481	2.6534		1.5117	4.4831	3.9882	3.9882	1.0935	1.0935	2.1465	2.1536	2.1536
C6	4.7135	3.6311	2.3742	4.1344	1.5117		5.6534	4.8151	4.8151	2.1757	2.1757	1.0937	1.0920	1.0920
H7	1.0892	2.1287	3.2809	2.5792	4.4831	5.6534		1.7884	1.7884	4.6694	4.6694	6.5702	5.7894	5.7894
H8	1.0925	2.1387	2.6194	3.1283	3.9882	4.8151	1.7884		1.7644	4.2016	4.5574	5.8292	4.9786	4.6538
H9	1.0925	2.1387	2.6194	3.1283	3.9882	4.8151	1.7884	1.7644		4.5574	4.2016	5.8292	4.6538	4.9786
H10	4.0125	2.6219	2.0784	2.6006	1.0935	2.1757	4.6694	4.2016	4.5574		1.7664	2.5197	3.0779	2.5181
H11	4.0125	2.6219	2.0784	2.6006	1.0935	2.1757	4.6694	4.5574	4.2016	1.7664		2.5197	2.5181	3.0779
H12	5.6882	4.4787	3.3349	4.7638	2.1465	1.0937	6.5702	5.8292	5.8292	2.5197	2.5197		1.7746	1.7746
H13	4.8033	3.9095	2.6260	4.5544	2.1536	1.0920	5.7894	4.9786	4.6538	3.0779	2.5181	1.7746		1.7735
H14	4.8033	3.9095	2.6260	4.5544	2.1536	1.0920	5.7894	4.6538	4.9786	2.5181	3.0779	1.7746	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.508	C1	C2	O4	125.891
C2	C1	H7	109.229	C2	C1	H8	109.827
C2	C1	H9	109.827	C2	O3	C5	114.632
O3	C2	O4	123.601	O3	C5	C6	106.651
O3	C5	H10	108.920	O3	C5	H11	108.920
C5	C6	H12	109.913	C5	C6	H13	110.573
C5	C6	H14	110.573	C6	C5	H10	112.265
C6	C5	H11	112.265	H7	C1	H8	110.117
H7	C1	H9	110.117	H8	C1	H9	107.706
H10	C5	H11	107.739	H12	C6	H13	108.568
H12	C6	H14	108.568	H13	C6	H14	108.587

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)