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	hartrees
Energy at 0K	-307.225298
Energy at 298.15K
HF Energy	-305.990083
Nuclear repulsion energy	245.153018

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'	3228	3064	3.52	54.52	0.69	0.81
2	A'	3184	3023	15.35	61.89	0.71	0.83
3	A'	3123	2965	14.71	60.96	0.10	0.18
4	A'	3119	2961	0.65	161.57	0.00	0.01
5	A'	3107	2950	12.47	148.86	0.01	0.01
6	A'	1816	1724	209.74	6.08	0.33	0.50
7	A'	1549	1470	5.45	1.36	0.74	0.85
8	A'	1526	1449	3.15	10.29	0.75	0.86
9	A'	1498	1422	14.28	7.70	0.68	0.81
10	A'	1449	1376	6.33	1.54	0.56	0.72
11	A'	1419	1347	66.67	0.23	0.75	0.85
12	A'	1402	1331	27.14	0.64	0.74	0.85
13	A'	1296	1230	399.54	0.49	0.67	0.80
14	A'	1159	1100	8.23	7.63	0.11	0.20
15	A'	1111	1055	89.80	2.31	0.74	0.85
16	A'	1027	975	10.55	1.69	0.17	0.29
17	A'	972	923	6.95	2.01	0.15	0.25
18	A'	876	832	11.44	7.98	0.21	0.35
19	A'	652	619	6.98	7.06	0.28	0.43
20	A'	434	412	0.64	0.22	0.71	0.83
21	A'	376	357	8.73	2.56	0.28	0.44
22	A'	199	189	4.85	0.37	0.61	0.76
23	A"	3192	3030	23.25	19.40	0.75	0.86
24	A"	3190	3029	2.47	49.19	0.75	0.86
25	A"	3158	2998	6.11	70.57	0.75	0.86
26	A"	1516	1439	6.87	7.48	0.75	0.86
27	A"	1507	1430	8.03	6.54	0.75	0.86
28	A"	1321	1254	1.27	4.65	0.75	0.86
29	A"	1202	1141	3.44	0.49	0.75	0.86
30	A"	1077	1022	4.76	0.04	0.75	0.86
31	A"	826	784	0.63	0.13	0.75	0.86
32	A"	621	590	3.93	0.69	0.75	0.86
33	A"	289	274	0.97	0.03	0.75	0.86
34	A"	160	151	4.39	0.02	0.75	0.86
35	A"	82	78	0.09	0.20	0.75	0.86
36	A"	60	57	0.59	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.295	0.042	0.000
C2	-0.905	-0.507	0.000
O3	0.000	0.489	0.000
O4	-0.609	-1.677	0.000
C5	1.368	0.054	0.000
C6	2.223	1.289	0.000
H7	-3.004	-0.773	0.000
H8	-2.441	0.665	0.875
H9	-2.441	0.665	-0.875
H10	1.542	-0.561	0.876
H11	1.542	-0.561	-0.876
H12	3.272	1.012	0.000
H13	2.025	1.890	-0.880
H14	2.025	1.890	0.880

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4939	2.3380	2.4074	3.6630	4.6869	1.0802	1.0840	1.0840	3.9813	3.9813	5.6507	4.7805	4.7805
C2	1.4939		1.3459	1.2069	2.3415	3.6072	2.1154	2.1204	2.1204	2.5999	2.5999	4.4447	3.8868	3.8868
O3	2.3380	1.3459		2.2499	1.4357	2.3627	3.2583	2.5988	2.5988	2.0611	2.0611	3.3135	2.6151	2.6151
O4	2.4074	1.2069	2.2499		2.6276	4.1008	2.5597	3.0991	3.0991	2.5767	2.5767	4.7211	4.5206	4.5206
C5	3.6630	2.3415	1.4357	2.6276		1.5021	4.4495	3.9556	3.9556	1.0845	1.0845	2.1311	2.1395	2.1395
C6	4.6869	3.6072	2.3627	4.1008	1.5021		5.6190	4.7862	4.7862	2.1573	2.1573	1.0850	1.0840	1.0840
H7	1.0802	2.1154	3.2583	2.5597	4.4495	5.6190		1.7749	1.7749	4.6343	4.6343	6.5247	5.7583	5.7583
H8	1.0840	2.1204	2.5988	3.0991	3.9556	4.7862	1.7749		1.7498	4.1670	4.5201	5.7898	4.9524	4.6310
H9	1.0840	2.1204	2.5988	3.0991	3.9556	4.7862	1.7749	1.7498		4.5201	4.1670	5.7898	4.6310	4.9524
H10	3.9813	2.5999	2.0611	2.5767	1.0845	2.1573	4.6343	4.1670	4.5201		1.7528	2.4967	3.0538	2.4981
H11	3.9813	2.5999	2.0611	2.5767	1.0845	2.1573	4.6343	4.5201	4.1670	1.7528		2.4967	2.4981	3.0538
H12	5.6507	4.4447	3.3135	4.7211	2.1311	1.0850	6.5247	5.7898	5.7898	2.4967	2.4967		1.7610	1.7610
H13	4.7805	3.8868	2.6151	4.5206	2.1395	1.0840	5.7583	4.9524	4.6310	3.0538	2.4981	1.7610		1.7601
H14	4.7805	3.8868	2.6151	4.5206	2.1395	1.0840	5.7583	4.6310	4.9524	2.4981	3.0538	1.7610	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.720	C1	C2	O4	125.758
C2	C1	H7	109.481	C2	C1	H8	109.656
C2	C1	H9	109.656	C2	O3	C5	114.619
O3	C2	O4	123.521	O3	C5	C6	107.051
O3	C5	H10	108.935	O3	C5	H11	108.935
C5	C6	H12	109.879	C5	C6	H13	110.608
C5	C6	H14	110.608	C6	C5	H10	112.017
C6	C5	H11	112.017	H7	C1	H8	110.196
H7	C1	H9	110.196	H8	C1	H9	107.633
H10	C5	H11	107.817	H12	C6	H13	108.563
H12	C6	H14	108.563	H13	C6	H14	108.561

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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