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	hartrees
Energy at 0K	-306.960435
Energy at 298.15K
HF Energy	-305.979658
Nuclear repulsion energy	243.849200

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'	3231	3063	5.27	54.97	0.71	0.83
2	A'	3187	3021	19.05	62.50	0.73	0.84
3	A'	3111	2949	18.31	44.01	0.14	0.25
4	A'	3109	2947	0.48	186.26	0.01	0.02
5	A'	3096	2935	14.47	142.68	0.01	0.01
6	A'	1798	1705	223.01	7.98	0.29	0.45
7	A'	1547	1466	5.94	1.72	0.71	0.83
8	A'	1526	1447	3.13	13.17	0.73	0.85
9	A'	1502	1423	12.74	8.53	0.69	0.82
10	A'	1460	1383	4.58	2.74	0.67	0.80
11	A'	1429	1355	46.30	0.63	0.74	0.85
12	A'	1417	1343	17.87	1.34	0.75	0.86
13	A'	1289	1222	430.39	0.20	0.74	0.85
14	A'	1161	1101	8.64	8.88	0.12	0.21
15	A'	1105	1047	100.88	2.95	0.71	0.83
16	A'	1033	979	11.34	1.92	0.21	0.35
17	A'	964	913	8.28	2.38	0.21	0.35
18	A'	880	834	15.18	8.40	0.25	0.40
19	A'	650	616	6.16	8.14	0.31	0.47
20	A'	438	415	0.62	0.34	0.70	0.83
21	A'	377	357	7.93	2.98	0.29	0.45
22	A'	199	189	4.93	0.31	0.61	0.75
23	A"	3199	3032	28.74	21.47	0.75	0.86
24	A"	3196	3029	3.98	48.50	0.75	0.86
25	A"	3164	3000	8.09	69.84	0.75	0.86
26	A"	1505	1427	6.57	9.59	0.75	0.86
27	A"	1495	1417	8.71	8.89	0.75	0.86
28	A"	1316	1248	1.09	9.48	0.75	0.86
29	A"	1205	1143	3.63	0.85	0.75	0.86
30	A"	1076	1020	3.10	0.33	0.75	0.86
31	A"	832	788	0.13	0.19	0.75	0.86
32	A"	592	561	5.21	1.47	0.75	0.86
33	A"	268	254	1.00	0.08	0.75	0.86
34	A"	150	142	4.94	0.01	0.75	0.86
35	A"	66	63	0.24	0.39	0.75	0.86
36	A"	16i	16i	0.63	0.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-2.306	0.039	0.000
C2	-0.909	-0.515	0.000
O3	0.000	0.487	0.000
O4	-0.610	-1.689	0.000
C5	1.378	0.060	0.000
C6	2.229	1.306	0.000
H7	-3.018	-0.781	0.000
H8	-2.455	0.662	0.880
H9	-2.455	0.662	-0.880
H10	1.557	-0.555	0.882
H11	1.557	-0.555	-0.882
H12	3.284	1.027	0.000
H13	2.031	1.908	-0.885
H14	2.031	1.908	0.885

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5031	2.3496	2.4212	3.6843	4.7095	1.0855	1.0890	1.0890	4.0073	4.0073	5.6768	4.8052	4.8052
C2	1.5031		1.3531	1.2117	2.3581	3.6284	2.1253	2.1334	2.1334	2.6196	2.6196	4.4673	3.9111	3.9111
O3	2.3496	1.3531		2.2606	1.4424	2.3750	3.2734	2.6140	2.6140	2.0711	2.0711	3.3277	2.6318	2.6318
O4	2.4212	1.2117	2.2606		2.6485	4.1275	2.5726	3.1158	3.1158	2.6008	2.6008	4.7481	4.5497	4.5497
C5	3.6843	2.3581	1.4424	2.6485		1.5088	4.4752	3.9785	3.9785	1.0903	1.0903	2.1371	2.1502	2.1502
C6	4.7095	3.6284	2.3750	4.1275	1.5088		5.6469	4.8098	4.8098	2.1661	2.1661	1.0903	1.0889	1.0889
H7	1.0855	2.1253	3.2734	2.5726	4.4752	5.6469		1.7821	1.7821	4.6646	4.6646	6.5556	5.7881	5.7881
H8	1.0890	2.1334	2.6140	3.1158	3.9785	4.8098	1.7821		1.7605	4.1930	4.5483	5.8173	4.9792	4.6556
H9	1.0890	2.1334	2.6140	3.1158	3.9785	4.8098	1.7821	1.7605		4.5483	4.1930	5.8173	4.6556	4.9792
H10	4.0073	2.6196	2.0711	2.6008	1.0903	2.1661	4.6646	4.1930	4.5483		1.7639	2.5023	3.0680	2.5078
H11	4.0073	2.6196	2.0711	2.6008	1.0903	2.1661	4.6646	4.5483	4.1930	1.7639		2.5023	2.5078	3.0680
H12	5.6768	4.4673	3.3277	4.7481	2.1371	1.0903	6.5556	5.8173	5.8173	2.5023	2.5023		1.7687	1.7687
H13	4.8052	3.9111	2.6318	4.5497	2.1502	1.0889	5.7881	4.9792	4.6556	3.0680	2.5078	1.7687		1.7709
H14	4.8052	3.9111	2.6318	4.5497	2.1502	1.0889	5.7881	4.6556	4.9792	2.5078	3.0680	1.7687	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.591	C1	C2	O4	125.880
C2	C1	H7	109.313	C2	C1	H8	109.751
C2	C1	H9	109.751	C2	O3	C5	114.992
O3	C2	O4	123.529	O3	C5	C6	107.149
O3	C5	H10	108.923	O3	C5	H11	108.923
C5	C6	H12	109.565	C5	C6	H13	110.693
C5	C6	H14	110.693	C6	C5	H10	111.896
C6	C5	H11	111.896	H7	C1	H8	110.077
H7	C1	H9	110.077	H8	C1	H9	107.856
H10	C5	H11	107.986	H12	C6	H13	108.511
H12	C6	H14	108.511	H13	C6	H14	108.810

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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