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	hartrees
Energy at 0K
Energy at 298.15K	-0.163044
HF Energy	-0.163044
Nuclear repulsion energy	165.448589

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'	3162	3015	1.60	133.14	0.02	0.03
2	A'	3155	3008	11.56	137.48	0.01	0.02
3	A'	3103	2959	1.66	142.83	0.08	0.15
4	A'	3071	2928	10.26	61.65	0.75	0.85
5	A'	3071	2928	8.87	217.48	0.75	0.86
6	A'	2075	1978	310.74	12.57	0.38	0.55
7	A'	1518	1447	263.54	1.95	0.69	0.82
8	A'	1430	1364	31.98	13.55	0.54	0.70
9	A'	1414	1349	1.51	15.14	0.66	0.79
10	A'	1412	1346	54.02	7.66	0.73	0.84
11	A'	1399	1334	0.72	25.83	0.73	0.84
12	A'	1394	1329	1.69	36.12	0.74	0.85
13	A'	1369	1305	11.17	40.33	0.75	0.86
14	A'	1312	1251	96.62	5.36	0.61	0.76
15	A'	1233	1176	1.08	19.69	0.67	0.80
16	A'	1134	1081	0.60	13.31	0.35	0.52
17	A'	1049	1000	0.57	1.97	0.66	0.80
18	A'	969	924	0.73	5.91	0.63	0.77
19	A'	659	628	21.19	8.91	0.50	0.66
20	A'	436	416	0.37	0.66	0.75	0.86
21	A'	405	386	10.44	4.19	0.48	0.65
22	A'	207	197	4.37	0.48	0.46	0.63
23	A"	3073	2930	4.27	49.19	0.75	0.86
24	A"	3063	2920	18.23	109.82	0.75	0.86
25	A"	3037	2896	0.16	156.98	0.75	0.86
26	A"	1380	1316	2.08	50.90	0.75	0.86
27	A"	1369	1306	8.26	47.50	0.75	0.86
28	A"	1227	1170	2.18	31.98	0.75	0.86
29	A"	1153	1100	7.06	8.22	0.75	0.86
30	A"	1070	1020	11.50	3.51	0.75	0.86
31	A"	845	805	0.00	0.13	0.75	0.86
32	A"	555	530	8.36	2.72	0.75	0.86
33	A"	158	151	6.63	0.03	0.75	0.86
34	A"	107	102	3.27	0.06	0.75	0.86
35	A"	48	45	0.11	1.25	0.75	0.86
36	A"	31i	30i	0.08	0.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.329	-0.020	0.000
C2	-0.927	-0.523	0.000
O3	0.000	0.482	0.000
O4	-0.527	-1.689	0.000
C5	1.382	0.082	0.000
C6	2.191	1.356	0.000
H7	-3.033	-0.887	0.000
H8	-2.503	0.607	0.908
H9	-2.503	0.607	-0.908
H10	1.576	-0.539	0.913
H11	1.576	-0.539	-0.913
H12	3.277	1.097	0.000
H13	1.961	1.968	-0.905
H14	1.961	1.968	0.905

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4888	2.3822	2.4556	3.7123	4.7248	1.1166	1.1172	1.1172	4.0436	4.0436	5.7157	4.8135	4.8135
C2	1.4888		1.3675	1.2329	2.3875	3.6409	2.1368	2.1409	2.1409	2.6649	2.6649	4.5054	3.9196	3.9196
O3	2.3822	1.3675		2.2345	1.4389	2.3591	3.3275	2.6653	2.6653	2.0882	2.0882	3.3340	2.6212	2.6212
O4	2.4556	1.2329	2.2345		2.6049	4.0824	2.6308	3.1622	3.1622	2.5657	2.5657	4.7155	4.5148	4.5148
C5	3.7123	2.3875	1.4389	2.6049		1.5090	4.5202	4.0241	4.0241	1.1213	1.1213	2.1492	2.1699	2.1699
C6	4.7248	3.6409	2.3591	4.0824	1.5090		5.6852	4.8393	4.8393	2.1916	2.1916	1.1161	1.1161	1.1161
H7	1.1166	2.1368	3.3275	2.6308	4.5202	5.6852		1.8268	1.8268	4.7116	4.7116	6.6142	5.8227	5.8227
H8	1.1172	2.1409	2.6653	3.1622	4.0241	4.8393	1.8268		1.8159	4.2369	4.6117	5.8709	5.0060	4.6663
H9	1.1172	2.1409	2.6653	3.1622	4.0241	4.8393	1.8268	1.8159		4.6117	4.2369	5.8709	4.6663	5.0060
H10	4.0436	2.6649	2.0882	2.5657	1.1213	2.1916	4.7116	4.2369	4.6117		1.8263	2.5302	3.1203	2.5360
H11	4.0436	2.6649	2.0882	2.5657	1.1213	2.1916	4.7116	4.6117	4.2369	1.8263		2.5302	2.5360	3.1203
H12	5.7157	4.5054	3.3340	4.7155	2.1492	1.1161	6.6142	5.8709	5.8709	2.5302	2.5302		1.8190	1.8190
H13	4.8135	3.9196	2.6212	4.5148	2.1699	1.1161	5.8227	5.0060	4.6663	3.1203	2.5360	1.8190		1.8096
H14	4.8135	3.9196	2.6212	4.5148	2.1699	1.1161	5.8227	4.6663	5.0060	2.5360	3.1203	1.8190	1.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	112.959	C1	C2	O4	128.661
C2	C1	H7	109.363	C2	C1	H8	109.650
C2	C1	H9	109.650	C2	O3	C5	116.565
O3	C2	O4	118.380	O3	C5	C6	106.285
O3	C5	H10	108.669	O3	C5	H11	108.669
C5	C6	H12	108.989	C5	C6	H13	110.602
C5	C6	H14	110.602	C6	C5	H10	112.019
C6	C5	H11	112.019	H7	C1	H8	109.722
H7	C1	H9	109.722	H8	C1	H9	108.719
H10	C5	H11	109.049	H12	C6	H13	109.150
H12	C6	H14	109.150	H13	C6	H14	108.320

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

using model chemistry: AM1

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: AM1

States and conformations

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