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	hartrees
Energy at 0K	-306.909200
Energy at 298.15K
HF Energy	-305.915626
Nuclear repulsion energy	242.498091

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'	3217	3217	4.95	51.99	0.70	0.82
2	A'	3171	3171	18.06	60.97	0.72	0.84
3	A'	3093	3093	17.04	77.42	0.06	0.11
4	A'	3088	3088	1.54	193.46	0.00	0.00
5	A'	3075	3075	15.10	179.38	0.01	0.01
6	A'	1768	1768	227.83	12.70	0.24	0.39
7	A'	1509	1509	5.31	0.85	0.69	0.82
8	A'	1489	1489	2.53	7.16	0.75	0.85
9	A'	1465	1465	13.30	5.85	0.61	0.76
10	A'	1419	1419	4.74	1.12	0.60	0.75
11	A'	1392	1392	70.88	0.10	0.75	0.85
12	A'	1372	1372	11.62	0.54	0.51	0.67
13	A'	1266	1266	384.52	0.98	0.75	0.86
14	A'	1139	1139	4.06	9.75	0.09	0.17
15	A'	1086	1086	105.90	2.69	0.60	0.75
16	A'	1010	1010	12.67	1.72	0.15	0.25
17	A'	954	954	12.60	2.52	0.12	0.22
18	A'	854	854	12.48	8.75	0.16	0.28
19	A'	638	638	6.63	8.22	0.19	0.32
20	A'	424	424	0.71	0.33	0.66	0.79
21	A'	367	367	8.09	3.29	0.21	0.34
22	A'	196	196	5.25	0.37	0.51	0.68
23	A"	3182	3182	27.95	18.21	0.75	0.86
24	A"	3178	3178	3.60	48.27	0.75	0.86
25	A"	3151	3151	5.81	68.41	0.75	0.86
26	A"	1480	1480	6.51	4.77	0.75	0.86
27	A"	1474	1474	7.27	4.43	0.75	0.86
28	A"	1288	1288	1.10	3.46	0.75	0.86
29	A"	1175	1175	3.14	0.40	0.75	0.86
30	A"	1054	1054	3.53	0.04	0.75	0.86
31	A"	807	807	0.44	0.22	0.75	0.86
32	A"	601	601	4.10	0.34	0.75	0.86
33	A"	263	263	0.99	0.01	0.75	0.86
34	A"	156	156	4.77	0.02	0.75	0.86
35	A"	77	77	0.26	0.21	0.75	0.86
36	A"	40	40	0.39	0.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.318	0.043	0.000
C2	-0.915	-0.512	0.000
O3	0.000	0.496	0.000
O4	-0.614	-1.695	0.000
C5	1.384	0.054	0.000
C6	2.244	1.303	0.000
H7	-3.035	-0.783	0.000
H8	-2.465	0.674	0.887
H9	-2.465	0.674	-0.887
H10	1.555	-0.568	0.890
H11	1.555	-0.568	-0.890
H12	3.306	1.017	0.000
H13	2.046	1.911	-0.893
H14	2.046	1.911	0.893

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5080	2.3613	2.4341	3.7012	4.7320	1.0943	1.0984	1.0984	4.0202	4.0202	5.7068	4.8298	4.8298
C2	1.5080		1.3610	1.2214	2.3674	3.6429	2.1373	2.1435	2.1435	2.6261	2.6261	4.4891	3.9287	3.9287
O3	2.3613	1.3610		2.2753	1.4525	2.3844	3.2936	2.6259	2.6259	2.0837	2.0837	3.3464	2.6432	2.6432
O4	2.4341	1.2214	2.2753		2.6551	4.1416	2.5876	3.1349	3.1349	2.6009	2.6009	4.7664	4.5690	4.5690
C5	3.7012	2.3674	1.4525	2.6551		1.5162	4.4974	3.9980	3.9980	1.0992	1.0992	2.1497	2.1643	2.1643
C6	4.7320	3.6429	2.3844	4.1416	1.5162		5.6760	4.8327	4.8327	2.1834	2.1834	1.0995	1.0983	1.0983
H7	1.0943	2.1373	3.2936	2.5876	4.4974	5.6760		1.7984	1.7984	4.6805	4.6805	6.5913	5.8201	5.8201
H8	1.0984	2.1435	2.6259	3.1349	3.9980	4.8327	1.7984		1.7740	4.2077	4.5674	5.8485	5.0049	4.6777
H9	1.0984	2.1435	2.6259	3.1349	3.9980	4.8327	1.7984	1.7740		4.5674	4.2077	5.8485	4.6777	5.0049
H10	4.0202	2.6261	2.0837	2.6009	1.0992	2.1834	4.6805	4.2077	4.5674		1.7793	2.5240	3.0929	2.5274
H11	4.0202	2.6261	2.0837	2.6009	1.0992	2.1834	4.6805	4.5674	4.2077	1.7793		2.5240	2.5274	3.0929
H12	5.7068	4.4891	3.3464	4.7664	2.1497	1.0995	6.5913	5.8485	5.8485	2.5240	2.5240		1.7838	1.7838
H13	4.8298	3.9287	2.6432	4.5690	2.1643	1.0983	5.8201	5.0049	4.6777	3.0929	2.5274	1.7838		1.7861
H14	4.8298	3.9287	2.6432	4.5690	2.1643	1.0983	5.8201	4.6777	5.0049	2.5274	3.0929	1.7838	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.675	C1	C2	O4	125.871
C2	C1	H7	109.401	C2	C1	H8	109.646
C2	C1	H9	109.646	C2	O3	C5	114.551
O3	C2	O4	123.455	O3	C5	C6	106.852
O3	C5	H10	108.705	O3	C5	H11	108.705
C5	C6	H12	109.511	C5	C6	H13	110.724
C5	C6	H14	110.724	C6	C5	H10	112.207
C6	C5	H11	112.207	H7	C1	H8	110.209
H7	C1	H9	110.209	H8	C1	H9	107.708
H10	C5	H11	108.063	H12	C6	H13	108.511
H12	C6	H14	108.511	H13	C6	H14	108.800

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

using model chemistry: MP2=FULL/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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