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	hartrees
Energy at 0K	-306.267895
Energy at 298.15K
HF Energy	-305.730014
Nuclear repulsion energy	240.869745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3045	8.02
2	A'	3206	2998	27.75
3	A'	3156	2952	10.75
4	A'	3145	2941	3.31
5	A'	3129	2926	17.90
6	A'	1812	1695	215.41
7	A'	1621	1516	4.95
8	A'	1599	1495	5.05
9	A'	1576	1474	18.57
10	A'	1528	1429	6.65
11	A'	1516	1418	38.01
12	A'	1491	1394	0.27
13	A'	1352	1264	466.07
14	A'	1202	1124	8.48
15	A'	1133	1060	117.43
16	A'	1082	1012	4.99
17	A'	983	920	17.30
18	A'	878	822	13.05
19	A'	660	617	11.90
20	A'	438	410	0.95
21	A'	374	349	11.24
22	A'	191	179	6.86
23	A"	3226	3017	44.82
24	A"	3219	3011	5.34
25	A"	3199	2992	3.93
26	A"	1587	1484	6.28
27	A"	1575	1473	10.42
28	A"	1359	1271	0.09
29	A"	1251	1170	7.21
30	A"	1148	1074	9.41
31	A"	869	813	0.33
32	A"	614	574	12.45
33	A"	264	247	2.12
34	A"	152	142	8.54
35	A"	97	91	0.53
36	A"	59	55	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-2.328	-0.025	0.000
C2	-0.919	-0.551	0.000
O3	0.000	0.464	0.000
O4	-0.594	-1.737	0.000
C5	1.428	0.104	0.000
C6	2.203	1.412	0.000
H7	-3.024	-0.861	0.000
H8	-2.491	0.597	0.882
H9	-2.491	0.597	-0.882
H10	1.633	-0.502	0.884
H11	1.633	-0.502	-0.884
H12	3.278	1.210	0.000
H13	1.959	2.002	-0.886
H14	1.959	2.002	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5038	2.3790	2.4364	3.7584	4.7536	1.0880	1.0917	1.0917	4.0862	4.0862	5.7400	4.8242	4.8242
C2	1.5038		1.3698	1.2295	2.4372	3.6884	2.1274	2.1372	2.1372	2.7013	2.7013	4.5513	3.9481	3.9481
O3	2.3790	1.3698		2.2801	1.4727	2.3983	3.3018	2.6463	2.6463	2.0930	2.0930	3.3612	2.6432	2.6432
O4	2.4364	1.2295	2.2801		2.7351	4.2123	2.5824	3.1342	3.1342	2.6958	2.6958	4.8656	4.6134	4.6134
C5	3.7584	2.4372	1.4727	2.7351		1.5203	4.5555	4.0476	4.0476	1.0911	1.0911	2.1546	2.1603	2.1603
C6	4.7536	3.6884	2.3983	4.2123	1.5203		5.7000	4.8457	4.8457	2.1841	2.1841	1.0935	1.0915	1.0915
H7	1.0880	2.1274	3.3018	2.5824	4.5555	5.7000		1.7856	1.7856	4.7535	4.7535	6.6331	5.8149	5.8149
H8	1.0917	2.1372	2.6463	3.1342	4.0476	4.8457	1.7856		1.7645	4.2681	4.6190	5.8681	4.9906	4.6670
H9	1.0917	2.1372	2.6463	3.1342	4.0476	4.8457	1.7856	1.7645		4.6190	4.2681	5.8681	4.6670	4.9906
H10	4.0862	2.7013	2.0930	2.6958	1.0911	2.1841	4.7535	4.2681	4.6190		1.7676	2.5329	3.0832	2.5249
H11	4.0862	2.7013	2.0930	2.6958	1.0911	2.1841	4.7535	4.6190	4.2681	1.7676		2.5329	2.5249	3.0832
H12	5.7400	4.5513	3.3612	4.8656	2.1546	1.0935	6.6331	5.8681	5.8681	2.5329	2.5329		1.7749	1.7749
H13	4.8242	3.9481	2.6432	4.6134	2.1603	1.0915	5.8149	4.9906	4.6670	3.0832	2.5249	1.7749		1.7712
H14	4.8242	3.9481	2.6432	4.6134	2.1603	1.0915	5.8149	4.6670	4.9906	2.5249	3.0832	1.7749	1.7712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.678	C1	C2	O4	125.800
C2	C1	H7	109.279	C2	C1	H8	109.843
C2	C1	H9	109.843	C2	O3	C5	118.010
O3	C2	O4	122.521	O3	C5	C6	106.497
O3	C5	H10	108.529	O3	C5	H11	108.529
C5	C6	H12	109.960	C5	C6	H13	110.538
C5	C6	H14	110.538	C6	C5	H10	112.478
C6	C5	H11	112.478	H7	C1	H8	110.014
H7	C1	H9	110.014	H8	C1	H9	107.831
H10	C5	H11	108.194	H12	C6	H13	108.643
H12	C6	H14	108.643	H13	C6	H14	108.463

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

using model chemistry: CID/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: CID/6-31G

States and conformations

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