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	hartrees
Energy at 0K	-306.342098
Energy at 298.15K
HF Energy	-305.724220
Nuclear repulsion energy	238.425336

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'	3200	3062	8.00	60.36	0.73	0.84
2	A'	3158	3022	23.30	63.94	0.75	0.86
3	A'	3092	2959	13.28	83.59	0.11	0.20
4	A'	3087	2954	2.67	113.76	0.00	0.01
5	A'	3074	2941	16.42	97.14	0.03	0.06
6	A'	1687	1614	121.40	5.19	0.38	0.55
7	A'	1587	1519	4.78	2.09	0.74	0.85
8	A'	1572	1504	4.85	27.00	0.74	0.85
9	A'	1553	1486	22.21	18.87	0.74	0.85
10	A'	1491	1426	7.69	5.64	0.71	0.83
11	A'	1476	1412	24.44	3.43	0.73	0.84
12	A'	1443	1380	3.09	3.76	0.72	0.84
13	A'	1275	1220	377.94	0.76	0.64	0.78
14	A'	1166	1115	3.99	8.49	0.22	0.37
15	A'	1076	1029	145.56	5.16	0.35	0.52
16	A'	1048	1002	2.78	3.27	0.47	0.64
17	A'	934	894	35.91	1.63	0.59	0.74
18	A'	821	785	15.51	15.41	0.25	0.40
19	A'	632	605	7.79	10.64	0.34	0.51
20	A'	425	406	0.51	0.87	0.63	0.77
21	A'	360	344	8.67	3.86	0.36	0.53
22	A'	187	179	5.72	0.39	0.66	0.79
23	A"	3179	3042	35.91	22.23	0.75	0.86
24	A"	3172	3035	5.69	54.36	0.75	0.86
25	A"	3145	3010	10.18	74.00	0.75	0.86
26	A"	1561	1494	5.89	22.63	0.75	0.86
27	A"	1550	1483	9.83	20.05	0.75	0.86
28	A"	1324	1267	0.01	12.72	0.75	0.86
29	A"	1211	1159	5.14	5.41	0.75	0.86
30	A"	1115	1066	5.64	1.54	0.75	0.86
31	A"	851	814	0.56	0.10	0.75	0.86
32	A"	582	557	6.76	1.67	0.75	0.86
33	A"	264	253	1.83	0.01	0.75	0.86
34	A"	150	144	7.60	0.00	0.75	0.86
35	A"	84	81	0.69	0.19	0.75	0.86
36	A"	52	50	0.28	0.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.349	0.012	0.000
C2	-0.940	-0.537	0.000
O3	0.000	0.497	0.000
O4	-0.618	-1.746	0.000
C5	1.438	0.080	0.000
C6	2.252	1.371	0.000
H7	-3.055	-0.824	0.000
H8	-2.509	0.636	0.888
H9	-2.509	0.636	-0.888
H10	1.620	-0.537	0.889
H11	1.620	-0.537	-0.889
H12	3.325	1.135	0.000
H13	2.023	1.969	-0.891
H14	2.023	1.969	0.891

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5123	2.3989	2.4679	3.7881	4.7976	1.0941	1.0969	1.0969	4.1048	4.1048	5.7849	4.8726	4.8726
C2	1.5123		1.3969	1.2520	2.4567	3.7182	2.1344	2.1506	2.1506	2.7103	2.7103	4.5814	3.9813	3.9813
O3	2.3989	1.3969		2.3265	1.4973	2.4154	3.3284	2.6650	2.6650	2.1174	2.1174	3.3861	2.6558	2.6558
O4	2.4679	1.2520	2.3265		2.7495	4.2366	2.6060	3.1690	3.1690	2.6948	2.6948	4.8838	4.6441	4.6441
C5	3.7881	2.4567	1.4973	2.7495		1.5261	4.5831	4.0837	4.0837	1.0971	1.0971	2.1625	2.1688	2.1688
C6	4.7976	3.7182	2.4154	4.2366	1.5261		5.7427	4.8980	4.8980	2.1972	2.1972	1.0991	1.0966	1.0966
H7	1.0941	2.1344	3.3284	2.6060	4.5831	5.7427		1.7943	1.7943	4.7677	4.7677	6.6745	5.8636	5.8636
H8	1.0969	2.1506	2.6650	3.1690	4.0837	4.8980	1.7943		1.7751	4.2925	4.6458	5.9225	5.0475	4.7240
H9	1.0969	2.1506	2.6650	3.1690	4.0837	4.8980	1.7943	1.7751		4.6458	4.2925	5.9225	4.7240	5.0475
H10	4.1048	2.7103	2.1174	2.6948	1.0971	2.1972	4.7677	4.2925	4.6458		1.7786	2.5483	3.0994	2.5374
H11	4.1048	2.7103	2.1174	2.6948	1.0971	2.1972	4.7677	4.6458	4.2925	1.7786		2.5483	2.5374	3.0994
H12	5.7849	4.5814	3.3861	4.8838	2.1625	1.0991	6.6745	5.9225	5.9225	2.5483	2.5483		1.7839	1.7839
H13	4.8726	3.9813	2.6558	4.6441	2.1688	1.0966	5.8636	5.0475	4.7240	3.0994	2.5374	1.7839		1.7810
H14	4.8726	3.9813	2.6558	4.6441	2.1688	1.0966	5.8636	4.7240	5.0475	2.5374	3.0994	1.7839	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.030	C1	C2	O4	126.192
C2	C1	H7	108.892	C2	C1	H8	110.001
C2	C1	H9	110.001	C2	O3	C5	116.124
O3	C2	O4	122.777	O3	C5	C6	106.044
O3	C5	H10	108.412	O3	C5	H11	108.412
C5	C6	H12	109.853	C5	C6	H13	110.499
C5	C6	H14	110.499	C6	C5	H10	112.748
C6	C5	H11	112.748	H7	C1	H8	109.959
H7	C1	H9	109.959	H8	C1	H9	108.021
H10	C5	H11	108.302	H12	C6	H13	108.672
H12	C6	H14	108.672	H13	C6	H14	108.596

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)