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	hartrees
Energy at 0K	-306.370627
Energy at 298.15K
HF Energy	-305.773636
Nuclear repulsion energy	236.619167

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'	3181	3070	13.15	53.18	0.73	0.84
2	A'	3135	3026	33.54	54.91	0.75	0.85
3	A'	3067	2961	21.34	95.31	0.07	0.13
4	A'	3049	2943	7.10	134.89	0.00	0.00
5	A'	3034	2929	24.85	125.15	0.02	0.04
6	A'	1639	1582	150.88	7.00	0.32	0.49
7	A'	1548	1494	8.58	0.90	0.63	0.78
8	A'	1540	1487	3.17	19.40	0.70	0.83
9	A'	1521	1468	31.37	14.40	0.71	0.83
10	A'	1465	1414	10.97	2.19	0.65	0.79
11	A'	1456	1405	31.07	1.52	0.68	0.81
12	A'	1420	1371	4.88	3.58	0.75	0.86
13	A'	1236	1193	359.20	1.85	0.41	0.58
14	A'	1144	1105	4.20	12.36	0.22	0.36
15	A'	1054	1017	165.34	7.07	0.47	0.64
16	A'	1026	991	9.28	4.90	0.34	0.51
17	A'	913	881	38.97	2.22	0.72	0.84
18	A'	796	768	21.78	16.70	0.20	0.34
19	A'	610	588	8.50	12.15	0.33	0.49
20	A'	411	397	0.27	0.83	0.62	0.77
21	A'	349	337	8.48	4.27	0.37	0.54
22	A'	181	175	6.02	0.43	0.66	0.80
23	A"	3159	3050	57.00	10.00	0.75	0.86
24	A"	3151	3042	10.37	45.80	0.75	0.86
25	A"	3134	3025	4.20	69.49	0.75	0.86
26	A"	1527	1474	8.20	14.02	0.75	0.86
27	A"	1520	1467	12.67	13.41	0.75	0.86
28	A"	1297	1252	0.01	14.79	0.75	0.86
29	A"	1189	1147	5.93	4.06	0.75	0.86
30	A"	1104	1066	5.93	2.80	0.75	0.86
31	A"	842	812	1.15	0.16	0.75	0.86
32	A"	569	549	6.35	1.88	0.75	0.86
33	A"	254	245	1.88	0.04	0.75	0.86
34	A"	149	144	8.95	0.00	0.75	0.86
35	A"	63	61	0.04	0.61	0.75	0.86
36	A"	38	37	0.85	0.07	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.366	0.012	0.000
C2	-0.947	-0.550	0.000
O3	0.000	0.494	0.000
O4	-0.618	-1.766	0.000
C5	1.453	0.083	0.000
C6	2.260	1.394	0.000
H7	-3.085	-0.820	0.000
H8	-2.516	0.642	0.892
H9	-2.516	0.642	-0.892
H10	1.636	-0.532	0.897
H11	1.636	-0.532	-0.897
H12	3.340	1.163	0.000
H13	2.026	1.991	-0.896
H14	2.026	1.991	0.896

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5262	2.4144	2.4932	3.8195	4.8275	1.0994	1.1020	1.1020	4.1374	4.1374	5.8212	4.8996	4.8996
C2	1.5262		1.4092	1.2597	2.4819	3.7499	2.1551	2.1631	2.1631	2.7346	2.7346	4.6169	4.0122	4.0122
O3	2.4144	1.4092		2.3427	1.5099	2.4324	3.3529	2.6739	2.6739	2.1292	2.1292	3.4068	2.6739	2.6739
O4	2.4932	1.2597	2.3427		2.7763	4.2742	2.6424	3.1931	3.1931	2.7224	2.7224	4.9244	4.6809	4.6809
C5	3.8195	2.4819	1.5099	2.7763		1.5397	4.6269	4.1066	4.1066	1.1028	1.1028	2.1747	2.1850	2.1850
C6	4.8275	3.7499	2.4324	4.2742	1.5397		5.7850	4.9165	4.9165	2.2141	2.2141	1.1053	1.1023	1.1023
H7	1.0994	2.1551	3.3529	2.6424	4.6269	5.7850		1.8037	1.8037	4.8146	4.8146	6.7244	5.9011	5.9011
H8	1.1020	2.1631	2.6739	3.1931	4.1066	4.9165	1.8037		1.7836	4.3153	4.6715	5.9473	5.0646	4.7384
H9	1.1020	2.1631	2.6739	3.1931	4.1066	4.9165	1.8037	1.7836		4.6715	4.3153	5.9473	4.7384	5.0646
H10	4.1374	2.7346	2.1292	2.7224	1.1028	2.2141	4.8146	4.3153	4.6715		1.7944	2.5653	3.1200	2.5528
H11	4.1374	2.7346	2.1292	2.7224	1.1028	2.2141	4.8146	4.6715	4.3153	1.7944		2.5653	2.5528	3.1200
H12	5.8212	4.6169	3.4068	4.9244	2.1747	1.1053	6.7244	5.9473	5.9473	2.5653	2.5653		1.7940	1.7940
H13	4.8996	4.0122	2.6739	4.6809	2.1850	1.1023	5.9011	5.0646	4.7384	3.1200	2.5528	1.7940		1.7930
H14	4.8996	4.0122	2.6739	4.6809	2.1850	1.1023	5.9011	4.7384	5.0646	2.5528	3.1200	1.7940	1.7930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.606	C1	C2	O4	126.738
C2	C1	H7	109.254	C2	C1	H8	109.723
C2	C1	H9	109.723	C2	O3	C5	116.426
O3	C2	O4	122.656	O3	C5	C6	105.802
O3	C5	H10	108.155	O3	C5	H11	108.155
C5	C6	H12	109.520	C5	C6	H13	110.501
C5	C6	H14	110.501	C6	C5	H10	112.797
C6	C5	H11	112.797	H7	C1	H8	110.039
H7	C1	H9	110.039	H8	C1	H9	108.048
H10	C5	H11	108.899	H12	C6	H13	108.715
H12	C6	H14	108.715	H13	C6	H14	108.846

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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