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	hartrees
Energy at 0K	-306.994461
Energy at 298.15K
HF Energy	-305.981068
Nuclear repulsion energy	244.280760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3044	7.87
2	A'	3163	2998	25.86
3	A'	3102	2940	17.18
4	A'	3098	2937	2.30
5	A'	3083	2922	16.38
6	A'	1871	1774	268.97
7	A'	1558	1477	5.18
8	A'	1531	1452	2.79
9	A'	1508	1430	10.67
10	A'	1478	1401	2.53
11	A'	1446	1371	64.42
12	A'	1432	1358	14.08
13	A'	1323	1254	451.95
14	A'	1174	1113	19.28
15	A'	1126	1067	73.69
16	A'	1043	989	8.77
17	A'	974	923	6.18
18	A'	898	851	13.35
19	A'	660	625	8.58
20	A'	441	418	0.78
21	A'	382	362	8.51
22	A'	201	191	5.08
23	A"	3174	3009	45.10
24	A"	3173	3008	1.73
25	A"	3145	2981	5.74
26	A"	1511	1432	5.49
27	A"	1501	1423	7.51
28	A"	1329	1259	1.51
29	A"	1216	1152	3.84
30	A"	1090	1033	3.63
31	A"	834	791	0.01
32	A"	603	572	7.48
33	A"	264	250	1.04
34	A"	148	140	4.96
35	A"	73	69	0.19
36	A"	44	42	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.307	0.025	0.000
C2	-0.903	-0.520	0.000
O3	0.000	0.477	0.000
O4	-0.606	-1.685	0.000
C5	1.376	0.067	0.000
C6	2.222	1.321	0.000
H7	-3.014	-0.799	0.000
H8	-2.458	0.649	0.881
H9	-2.458	0.649	-0.881
H10	1.566	-0.546	0.882
H11	1.566	-0.546	-0.882
H12	3.279	1.049	0.000
H13	2.019	1.923	-0.886
H14	2.019	1.923	0.886

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5057	2.3503	2.4116	3.6825	4.7104	1.0864	1.0901	1.0901	4.0122	4.0122	5.6786	4.8061	4.8061
C2	1.5057		1.3454	1.2016	2.3535	3.6276	2.1290	2.1356	2.1356	2.6217	2.6217	4.4671	3.9111	3.9111
O3	2.3503	1.3454		2.2448	1.4354	2.3772	3.2729	2.6169	2.6169	2.0677	2.0677	3.3286	2.6371	2.6371
O4	2.4116	1.2016	2.2448		2.6450	4.1273	2.5655	3.1067	3.1067	2.6057	2.6057	4.7505	4.5490	4.5490
C5	3.6825	2.3535	1.4354	2.6450		1.5131	4.4743	3.9765	3.9765	1.0910	1.0910	2.1417	2.1551	2.1551
C6	4.7104	3.6276	2.3772	4.1273	1.5131		5.6491	4.8096	4.8096	2.1673	2.1673	1.0914	1.0903	1.0903
H7	1.0864	2.1290	3.2729	2.5655	4.4743	5.6491		1.7840	1.7840	4.6705	4.6705	6.5588	5.7904	5.7904
H8	1.0901	2.1356	2.6169	3.1067	3.9765	4.8096	1.7840		1.7628	4.1972	4.5526	5.8181	4.9792	4.6549
H9	1.0901	2.1356	2.6169	3.1067	3.9765	4.8096	1.7840	1.7628		4.5526	4.1972	5.8181	4.6549	4.9792
H10	4.0122	2.6217	2.0677	2.6057	1.0910	2.1673	4.6705	4.1972	4.5526		1.7642	2.5019	3.0710	2.5107
H11	4.0122	2.6217	2.0677	2.6057	1.0910	2.1673	4.6705	4.5526	4.1972	1.7642		2.5019	2.5107	3.0710
H12	5.6786	4.4671	3.3286	4.7505	2.1417	1.0914	6.5588	5.8181	5.8181	2.5019	2.5019		1.7711	1.7711
H13	4.8061	3.9111	2.6371	4.5490	2.1551	1.0903	5.7904	4.9792	4.6549	3.0710	2.5107	1.7711		1.7725
H14	4.8061	3.9111	2.6371	4.5490	2.1551	1.0903	5.7904	4.6549	4.9792	2.5107	3.0710	1.7711	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.918	C1	C2	O4	125.573
C2	C1	H7	109.371	C2	C1	H8	109.676
C2	C1	H9	109.676	C2	O3	C5	115.588
O3	C2	O4	123.509	O3	C5	C6	107.428
O3	C5	H10	109.095	O3	C5	H11	109.095
C5	C6	H12	109.570	C5	C6	H13	110.696
C5	C6	H14	110.696	C6	C5	H10	111.635
C6	C5	H11	111.635	H7	C1	H8	110.096
H7	C1	H9	110.096	H8	C1	H9	107.906
H10	C5	H11	107.907	H12	C6	H13	108.537
H12	C6	H14	108.537	H13	C6	H14	108.746

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

using model chemistry: CCD/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: CCD/TZVP

States and conformations

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