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	hartrees
Energy at 0K	-306.793400
Energy at 298.15K
HF Energy	-305.872967
Nuclear repulsion energy	243.070365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3050	7.46
2	A'	3155	3005	24.05
3	A'	3095	2947	15.25
4	A'	3091	2943	2.01
5	A'	3077	2930	15.31
6	A'	1851	1763	215.56
7	A'	1571	1496	3.83
8	A'	1548	1474	2.99
9	A'	1525	1452	11.97
10	A'	1480	1410	4.38
11	A'	1456	1387	75.54
12	A'	1430	1362	5.65
13	A'	1328	1265	402.42
14	A'	1173	1117	15.21
15	A'	1119	1065	83.05
16	A'	1045	995	6.67
17	A'	973	927	7.30
18	A'	887	844	10.39
19	A'	650	619	9.05
20	A'	435	414	0.77
21	A'	378	360	10.16
22	A'	200	190	5.16
23	A"	3167	3016	38.02
24	A"	3164	3013	5.38
25	A"	3138	2988	7.81
26	A"	1537	1463	5.35
27	A"	1524	1452	8.06
28	A"	1323	1260	0.42
29	A"	1217	1159	4.78
30	A"	1095	1043	6.46
31	A"	833	793	0.27
32	A"	609	580	7.52
33	A"	274	261	1.07
34	A"	154	147	4.84
35	A"	81	77	0.06
36	A"	68	65	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-2.313	0.031	0.000
C2	-0.908	-0.519	0.000
O3	0.000	0.487	0.000
O4	-0.606	-1.696	0.000
C5	1.383	0.062	0.000
C6	2.228	1.320	0.000
H7	-3.024	-0.798	0.000
H8	-2.466	0.658	0.885
H9	-2.466	0.658	-0.885
H10	1.565	-0.558	0.885
H11	1.565	-0.558	-0.885
H12	3.293	1.055	0.000
H13	2.020	1.925	-0.889
H14	2.020	1.925	0.889

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5083	2.3573	2.4275	3.6958	4.7206	1.0920	1.0956	1.0956	4.0204	4.0204	5.6985	4.8115	4.8115
C2	1.5083		1.3547	1.2155	2.3634	3.6355	2.1345	2.1435	2.1435	2.6264	2.6264	4.4860	3.9159	3.9159
O3	2.3573	1.3547		2.2656	1.4467	2.3790	3.2857	2.6251	2.6251	2.0792	2.0792	3.3416	2.6342	2.6342
O4	2.4275	1.2155	2.2656		2.6551	4.1392	2.5791	3.1279	3.1279	2.6060	2.6060	4.7723	4.5609	4.5609
C5	3.6958	2.3634	1.4467	2.6551		1.5154	4.4902	3.9937	3.9937	1.0960	1.0960	2.1527	2.1602	2.1602
C6	4.7206	3.6355	2.3790	4.1392	1.5154		5.6634	4.8222	4.8222	2.1798	2.1798	1.0969	1.0956	1.0956
H7	1.0920	2.1345	3.2857	2.5791	4.4902	5.6634		1.7933	1.7933	4.6794	4.6794	6.5832	5.8006	5.8006
H8	1.0956	2.1435	2.6251	3.1279	3.9937	4.8222	1.7933		1.7694	4.2098	4.5667	5.8395	4.9869	4.6608
H9	1.0956	2.1435	2.6251	3.1279	3.9937	4.8222	1.7933	1.7694		4.5667	4.2098	5.8395	4.6608	4.9869
H10	4.0204	2.6264	2.0792	2.6060	1.0960	2.1798	4.6794	4.2098	4.5667		1.7700	2.5246	3.0858	2.5248
H11	4.0204	2.6264	2.0792	2.6060	1.0960	2.1798	4.6794	4.5667	4.2098	1.7700		2.5246	2.5248	3.0858
H12	5.6985	4.4860	3.3416	4.7723	2.1527	1.0969	6.5832	5.8395	5.8395	2.5246	2.5246		1.7799	1.7799
H13	4.8115	3.9159	2.6342	4.5609	2.1602	1.0956	5.8006	4.9869	4.6608	3.0858	2.5248	1.7799		1.7782
H14	4.8115	3.9159	2.6342	4.5609	2.1602	1.0956	5.8006	4.6608	4.9869	2.5248	3.0858	1.7799	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.730	C1	C2	O4	125.716
C2	C1	H7	109.299	C2	C1	H8	109.793
C2	C1	H9	109.793	C2	O3	C5	115.016
O3	C2	O4	123.554	O3	C5	C6	106.844
O3	C5	H10	108.939	O3	C5	H11	108.939
C5	C6	H12	109.949	C5	C6	H13	110.627
C5	C6	H14	110.627	C6	C5	H10	112.172
C6	C5	H11	112.172	H7	C1	H8	110.117
H7	C1	H9	110.117	H8	C1	H9	107.703
H10	C5	H11	107.703	H12	C6	H13	108.546
H12	C6	H14	108.546	H13	C6	H14	108.486

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

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

States and conformations

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