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	hartrees
Energy at 0K	-306.985979
Energy at 298.15K
HF Energy	-305.941880
Nuclear repulsion energy	244.012483

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'	3228	3057	5.64	59.84	0.72	0.83
2	A'	3185	3016	19.73	68.54	0.73	0.85
3	A'	3111	2947	17.29	74.43	0.11	0.20
4	A'	3105	2941	1.56	126.71	0.01	0.01
5	A'	3094	2930	14.66	114.20	0.01	0.02
6	A'	1825	1729	202.95	5.44	0.38	0.55
7	A'	1562	1480	6.88	1.75	0.71	0.83
8	A'	1539	1457	4.03	16.51	0.74	0.85
9	A'	1513	1433	15.35	10.57	0.71	0.83
10	A'	1465	1388	7.04	3.26	0.56	0.72
11	A'	1439	1363	73.73	1.04	0.71	0.83
12	A'	1422	1347	19.93	1.81	0.75	0.86
13	A'	1300	1231	414.89	0.28	0.67	0.80
14	A'	1168	1106	13.28	7.44	0.15	0.26
15	A'	1113	1054	92.47	3.04	0.72	0.84
16	A'	1035	980	10.77	1.77	0.22	0.36
17	A'	971	920	8.22	2.22	0.21	0.34
18	A'	885	838	12.13	8.18	0.29	0.45
19	A'	652	617	7.48	7.85	0.34	0.51
20	A'	437	414	0.59	0.32	0.70	0.82
21	A'	379	359	9.23	2.84	0.32	0.49
22	A'	201	191	4.53	0.32	0.64	0.78
23	A"	3196	3027	30.83	22.54	0.75	0.86
24	A"	3190	3022	4.56	54.37	0.75	0.86
25	A"	3163	2996	8.95	79.15	0.75	0.86
26	A"	1527	1446	9.04	11.89	0.75	0.86
27	A"	1514	1434	11.40	10.83	0.75	0.86
28	A"	1331	1261	0.88	8.91	0.75	0.86
29	A"	1212	1148	4.25	0.87	0.75	0.86
30	A"	1084	1027	5.23	0.25	0.75	0.86
31	A"	829	785	0.58	0.19	0.75	0.86
32	A"	610	578	4.33	1.18	0.75	0.86
33	A"	278	263	1.01	0.03	0.75	0.86
34	A"	156	148	4.62	0.01	0.75	0.86
35	A"	79	75	0.07	0.30	0.75	0.86
36	A"	51	48	0.82	0.03	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.305	0.040	0.000
C2	-0.906	-0.514	0.000
O3	0.000	0.489	0.000
O4	-0.607	-1.686	0.000
C5	1.374	0.057	0.000
C6	2.227	1.303	0.000
H7	-3.018	-0.781	0.000
H8	-2.455	0.667	0.880
H9	-2.455	0.667	-0.880
H10	1.550	-0.563	0.882
H11	1.550	-0.563	-0.882
H12	3.285	1.031	0.000
H13	2.025	1.907	-0.886
H14	2.025	1.907	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5049	2.3479	2.4213	3.6786	4.7047	1.0876	1.0912	1.0912	4.0003	4.0003	5.6772	4.7979	4.7979
C2	1.5049		1.3513	1.2095	2.3499	3.6218	2.1293	2.1381	2.1381	2.6099	2.6099	4.4667	3.9037	3.9037
O3	2.3479	1.3513		2.2580	1.4403	2.3715	3.2743	2.6142	2.6142	2.0707	2.0707	3.3298	2.6265	2.6265
O4	2.4213	1.2095	2.2580		2.6383	4.1192	2.5756	3.1192	3.1192	2.5869	2.5869	4.7469	4.5416	4.5416
C5	3.6786	2.3499	1.4403	2.6383		1.5106	4.4712	3.9760	3.9760	1.0924	1.0924	2.1455	2.1527	2.1527
C6	4.7047	3.6218	2.3715	4.1192	1.5106		5.6443	4.8066	4.8066	2.1725	2.1725	1.0924	1.0910	1.0910
H7	1.0876	2.1293	3.2743	2.5756	4.4712	5.6443		1.7857	1.7857	4.6578	4.6578	6.5587	5.7834	5.7834
H8	1.0912	2.1381	2.6142	3.1192	3.9760	4.8066	1.7857		1.7603	4.1901	4.5456	5.8189	4.9729	4.6489
H9	1.0912	2.1381	2.6142	3.1192	3.9760	4.8066	1.7857	1.7603		4.5456	4.1901	5.8189	4.6489	4.9729
H10	4.0003	2.6099	2.0707	2.5869	1.0924	2.1725	4.6578	4.1901	4.5456		1.7642	2.5161	3.0748	2.5159
H11	4.0003	2.6099	2.0707	2.5869	1.0924	2.1725	4.6578	4.5456	4.1901	1.7642		2.5161	2.5159	3.0748
H12	5.6772	4.4667	3.3298	4.7469	2.1455	1.0924	6.5587	5.8189	5.8189	2.5161	2.5161		1.7719	1.7719
H13	4.7979	3.9037	2.6265	4.5416	2.1527	1.0910	5.7834	4.9729	4.6489	3.0748	2.5159	1.7719		1.7711
H14	4.7979	3.9037	2.6265	4.5416	2.1527	1.0910	5.7834	4.6489	4.9729	2.5159	3.0748	1.7719	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.470	C1	C2	O4	125.910
C2	C1	H7	109.385	C2	C1	H8	109.869
C2	C1	H9	109.869	C2	O3	C5	114.620
O3	C2	O4	123.620	O3	C5	C6	106.937
O3	C5	H10	108.918	O3	C5	H11	108.918
C5	C6	H12	109.982	C5	C6	H13	110.640
C5	C6	H14	110.640	C6	C5	H10	112.147
C6	C5	H11	112.147	H7	C1	H8	110.084
H7	C1	H9	110.084	H8	C1	H9	107.531
H10	C5	H11	107.701	H12	C6	H13	108.493
H12	C6	H14	108.493	H13	C6	H14	108.528

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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