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	hartrees
Energy at 0K	-307.204767
Energy at 298.15K	-307.196441
HF Energy	-305.874207
Nuclear repulsion energy	245.619343

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'	3328	3328	13.54	67.82	0.68	0.81
2	A'	3273	3273	44.73	65.81	0.68	0.81
3	A'	3241	3241	14.40	100.31	0.16	0.27
4	A'	3214	3214	4.46	108.13	0.01	0.03
5	A'	3199	3199	22.66	96.42	0.02	0.04
6	A'	2011	2011	356.10	3.72	0.68	0.81
7	A'	1663	1663	3.53	2.08	0.75	0.86
8	A'	1634	1634	2.08	20.32	0.74	0.85
9	A'	1605	1605	14.94	13.55	0.75	0.86
10	A'	1579	1579	5.39	3.38	0.46	0.63
11	A'	1550	1550	110.24	2.76	0.75	0.85
12	A'	1526	1526	8.20	1.26	0.50	0.66
13	A'	1420	1420	516.81	0.77	0.75	0.86
14	A'	1244	1244	43.16	7.36	0.16	0.27
15	A'	1185	1185	83.01	3.50	0.65	0.78
16	A'	1101	1101	3.67	2.90	0.28	0.44
17	A'	1026	1026	4.59	2.07	0.42	0.59
18	A'	949	949	12.17	8.90	0.36	0.53
19	A'	691	691	12.57	7.82	0.32	0.48
20	A'	457	457	1.19	0.28	0.68	0.81
21	A'	397	397	11.43	2.23	0.30	0.46
22	A'	206	206	5.87	0.23	0.67	0.80
23	A"	3299	3299	63.61	5.60	0.75	0.86
24	A"	3283	3283	10.46	61.66	0.75	0.86
25	A"	3270	3270	3.43	105.57	0.75	0.86
26	A"	1621	1621	4.04	17.29	0.75	0.86
27	A"	1612	1612	5.69	15.79	0.75	0.86
28	A"	1423	1423	1.59	10.69	0.75	0.86
29	A"	1292	1292	6.03	0.95	0.75	0.86
30	A"	1175	1175	10.96	0.82	0.75	0.86
31	A"	873	873	0.01	0.20	0.75	0.86
32	A"	668	668	13.97	1.63	0.75	0.86
33	A"	283	283	1.19	0.02	0.75	0.86
34	A"	159	159	5.54	0.00	0.75	0.86
35	A"	100	100	0.09	0.10	0.75	0.86
36	A"	79	79	0.70	0.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.295	-0.013	0.000
C2	-0.884	-0.542	0.000
O3	0.000	0.445	0.000
O4	-0.586	-1.688	0.000
C5	1.379	0.092	0.000
C6	2.178	1.379	0.000
H7	-2.993	-0.840	0.000
H8	-2.453	0.609	0.877
H9	-2.453	0.609	-0.877
H10	1.589	-0.512	0.877
H11	1.589	-0.512	-0.877
H12	3.243	1.154	0.000
H13	1.952	1.974	-0.881
H14	1.952	1.974	0.881

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5065	2.3401	2.3928	3.6752	4.6850	1.0825	1.0866	1.0866	4.0125	4.0125	5.6592	4.7713	4.7713
C2	1.5065		1.3250	1.1844	2.3502	3.6156	2.1298	2.1343	2.1343	2.6240	2.6240	4.4619	3.8929	3.8929
O3	2.3401	1.3250		2.2122	1.4232	2.3705	3.2573	2.6105	2.6105	2.0510	2.0510	3.3193	2.6320	2.6320
O4	2.3928	1.1844	2.2122		2.6517	4.1299	2.5517	3.0873	3.0873	2.6239	2.6239	4.7688	4.5427	4.5427
C5	3.6752	2.3502	1.4232	2.6517		1.5157	4.4702	3.9650	3.9650	1.0847	1.0847	2.1453	2.1560	2.1560
C6	4.6850	3.6156	2.3705	4.1299	1.5157		5.6278	4.7765	4.7765	2.1661	2.1661	1.0878	1.0868	1.0868
H7	1.0825	2.1298	3.2573	2.5517	4.4702	5.6278		1.7777	1.7777	4.6766	4.6766	6.5469	5.7581	5.7581
H8	1.0866	2.1343	2.6105	3.0873	3.9650	4.7765	1.7777		1.7536	4.1945	4.5462	5.7887	4.9361	4.6124
H9	1.0866	2.1343	2.6105	3.0873	3.9650	4.7765	1.7777	1.7536		4.5462	4.1945	5.7887	4.6124	4.9361
H10	4.0125	2.6240	2.0510	2.6239	1.0847	2.1661	4.6766	4.1945	4.5462		1.7530	2.5055	3.0660	2.5120
H11	4.0125	2.6240	2.0510	2.6239	1.0847	2.1661	4.6766	4.5462	4.1945	1.7530		2.5055	2.5120	3.0660
H12	5.6592	4.4619	3.3193	4.7688	2.1453	1.0878	6.5469	5.7887	5.7887	2.5055	2.5055		1.7645	1.7645
H13	4.7713	3.8929	2.6320	4.5427	2.1560	1.0868	5.7581	4.9361	4.6124	3.0660	2.5120	1.7645		1.7625
H14	4.7713	3.8929	2.6320	4.5427	2.1560	1.0868	5.7581	4.6124	4.9361	2.5120	3.0660	1.7645	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.313	C1	C2	O4	125.124
C2	C1	H7	109.608	C2	C1	H8	109.722
C2	C1	H9	109.722	C2	O3	C5	117.519
O3	C2	O4	123.563	O3	C5	C6	107.486
O3	C5	H10	108.993	O3	C5	H11	108.993
C5	C6	H12	109.880	C5	C6	H13	110.797
C5	C6	H14	110.797	C6	C5	H10	111.745
C6	C5	H11	111.745	H7	C1	H8	110.084
H7	C1	H9	110.084	H8	C1	H9	107.593
H10	C5	H11	107.823	H12	C6	H13	108.465
H12	C6	H14	108.465	H13	C6	H14	108.365

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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