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	hartrees
Energy at 0K	-306.789987
Energy at 298.15K
HF Energy	-305.873349
Nuclear repulsion energy	243.248180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3029	7.03
2	A'	3159	2983	23.38
3	A'	3099	2926	14.94
4	A'	3095	2922	1.70
5	A'	3081	2910	14.82
6	A'	1870	1765	220.72
7	A'	1573	1485	3.78
8	A'	1549	1463	3.00
9	A'	1526	1441	11.82
10	A'	1483	1400	4.76
11	A'	1459	1377	82.92
12	A'	1432	1353	5.66
13	A'	1335	1261	406.93
14	A'	1176	1110	16.63
15	A'	1123	1060	78.99
16	A'	1047	989	6.15
17	A'	977	923	7.16
18	A'	891	841	10.30
19	A'	653	617	9.47
20	A'	436	412	0.80
21	A'	379	358	10.22
22	A'	200	189	5.19
23	A"	3170	2994	36.91
24	A"	3168	2992	5.02
25	A"	3142	2967	7.90
26	A"	1538	1452	5.43
27	A"	1525	1440	8.18
28	A"	1325	1251	0.44
29	A"	1219	1151	4.83
30	A"	1098	1037	6.53
31	A"	834	788	0.27
32	A"	611	577	7.47
33	A"	275	259	1.08
34	A"	155	146	4.87
35	A"	84	79	0.12
36	A"	70	66	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.029	0.000
C2	-0.907	-0.519	0.000
O3	0.000	0.485	0.000
O4	-0.606	-1.694	0.000
C5	1.382	0.062	0.000
C6	2.227	1.320	0.000
H7	-3.022	-0.800	0.000
H8	-2.465	0.657	0.884
H9	-2.465	0.657	-0.884
H10	1.565	-0.558	0.885
H11	1.565	-0.558	-0.885
H12	3.291	1.056	0.000
H13	2.018	1.925	-0.889
H14	2.018	1.925	0.889

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5076	2.3561	2.4245	3.6939	4.7184	1.0916	1.0953	1.0953	4.0192	4.0192	5.6960	4.8093	4.8093
C2	1.5076		1.3530	1.2135	2.3617	3.6335	2.1335	2.1425	2.1425	2.6258	2.6258	4.4838	3.9138	3.9138
O3	2.3561	1.3530		2.2623	1.4455	2.3782	3.2837	2.6240	2.6240	2.0784	2.0784	3.3403	2.6335	2.6335
O4	2.4245	1.2135	2.2623		2.6532	4.1369	2.5759	3.1247	3.1247	2.6055	2.6055	4.7701	4.5582	4.5582
C5	3.6939	2.3617	1.4455	2.6532		1.5152	4.4876	3.9916	3.9916	1.0957	1.0957	2.1521	2.1598	2.1598
C6	4.7184	3.6335	2.3782	4.1369	1.5152		5.6607	4.8199	4.8199	2.1789	2.1789	1.0966	1.0953	1.0953
H7	1.0916	2.1335	3.2837	2.5759	4.4876	5.6607		1.7930	1.7930	4.6776	4.6776	6.5801	5.7978	5.7978
H8	1.0953	2.1425	2.6240	3.1247	3.9916	4.8199	1.7930		1.7690	4.2085	4.5653	5.8369	4.9845	4.6584
H9	1.0953	2.1425	2.6240	3.1247	3.9916	4.8199	1.7930	1.7690		4.5653	4.2085	5.8369	4.6584	4.9845
H10	4.0192	2.6258	2.0784	2.6055	1.0957	2.1789	4.6776	4.2085	4.5653		1.7696	2.5233	3.0848	2.5239
H11	4.0192	2.6258	2.0784	2.6055	1.0957	2.1789	4.6776	4.5653	4.2085	1.7696		2.5233	2.5239	3.0848
H12	5.6960	4.4838	3.3403	4.7701	2.1521	1.0966	6.5801	5.8369	5.8369	2.5233	2.5233		1.7795	1.7795
H13	4.8093	3.9138	2.6335	4.5582	2.1598	1.0953	5.7978	4.9845	4.6584	3.0848	2.5239	1.7795		1.7778
H14	4.8093	3.9138	2.6335	4.5582	2.1598	1.0953	5.7978	4.6584	4.9845	2.5239	3.0848	1.7795	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.787	C1	C2	O4	125.657
C2	C1	H7	109.287	C2	C1	H8	109.778
C2	C1	H9	109.778	C2	O3	C5	115.080
O3	C2	O4	123.556	O3	C5	C6	106.864
O3	C5	H10	108.969	O3	C5	H11	108.969
C5	C6	H12	109.940	C5	C6	H13	110.621
C5	C6	H14	110.621	C6	C5	H10	112.135
C6	C5	H11	112.135	H7	C1	H8	110.138
H7	C1	H9	110.138	H8	C1	H9	107.705
H10	C5	H11	107.701	H12	C6	H13	108.553
H12	C6	H14	108.553	H13	C6	H14	108.491

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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