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	hartrees
Energy at 0K	-306.214183
Energy at 298.15K
HF Energy	-306.214183
Nuclear repulsion energy	245.298851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	3081	1.03
2	A'	3071	3035	9.30
3	A'	2996	2961	0.21
4	A'	2985	2951	11.13
5	A'	2974	2940	11.68
6	A'	1795	1774	246.38
7	A'	1449	1432	11.91
8	A'	1425	1408	3.23
9	A'	1398	1381	15.89
10	A'	1373	1357	20.40
11	A'	1343	1327	143.70
12	A'	1319	1304	23.61
13	A'	1257	1242	302.44
14	A'	1118	1105	3.62
15	A'	1082	1069	84.95
16	A'	977	966	10.12
17	A'	961	950	4.38
18	A'	850	840	6.31
19	A'	644	637	4.78
20	A'	425	420	0.92
21	A'	369	365	10.18
22	A'	194	191	5.57
23	A"	3070	3035	14.27
24	A"	3070	3034	0.21
25	A"	3012	2977	8.29
26	A"	1412	1396	10.86
27	A"	1400	1384	14.22
28	A"	1246	1231	0.96
29	A"	1132	1119	4.33
30	A"	1018	1006	7.27
31	A"	777	768	2.08
32	A"	592	585	2.77
33	A"	262	259	1.14
34	A"	157	156	4.46
35	A"	41	41	0.49
36	A"	38i	38i	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-2.290	0.040	0.000
C2	-0.907	-0.500	0.000
O3	0.000	0.488	0.000
O4	-0.602	-1.668	0.000
C5	1.361	0.059	0.000
C6	2.222	1.278	0.000
H7	-3.007	-0.788	0.000
H8	-2.450	0.675	0.884
H9	-2.450	0.675	-0.884
H10	1.532	-0.578	0.884
H11	1.532	-0.578	-0.884
H12	3.283	0.991	0.000
H13	2.033	1.894	-0.891
H14	2.033	1.894	0.891

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.4848	2.3337	2.4015	3.6509	4.6787	1.0949	1.0996	1.0996	3.9717	3.9717	5.6539	4.7881	4.7881
C2	1.4848		1.3416	1.2072	2.3355	3.5987	2.1193	2.1312	2.1312	2.5958	2.5958	4.4476	3.8952	3.8952
O3	2.3337	1.3416		2.2390	1.4268	2.3578	3.2664	2.6112	2.6112	2.0654	2.0654	3.3213	2.6277	2.6277
O4	2.4015	1.2072	2.2390		2.6143	4.0809	2.5606	3.1120	3.1120	2.5547	2.5547	4.7082	4.5199	4.5199
C5	3.6509	2.3355	1.4268	2.6143		1.4927	4.4487	3.9601	3.9601	1.1029	1.1029	2.1367	2.1483	2.1483
C6	4.6787	3.5987	2.3578	4.0809	1.4927		5.6218	4.7927	4.7927	2.1682	2.1682	1.0994	1.0994	1.0994
H7	1.0949	2.1193	3.2664	2.5606	4.4487	5.6218		1.7972	1.7972	4.6290	4.6290	6.5366	5.7785	5.7785
H8	1.0996	2.1312	2.6112	3.1120	3.9601	4.7927	1.7972		1.7671	4.1746	4.5335	5.8095	4.9738	4.6465
H9	1.0996	2.1312	2.6112	3.1120	3.9601	4.7927	1.7972	1.7671		4.5335	4.1746	5.8095	4.6465	4.9738
H10	3.9717	2.5958	2.0654	2.5547	1.1029	2.1682	4.6290	4.1746	4.5335		1.7685	2.5118	3.0842	2.5221
H11	3.9717	2.5958	2.0654	2.5547	1.1029	2.1682	4.6290	4.5335	4.1746	1.7685		2.5118	2.5221	3.0842
H12	5.6539	4.4476	3.3213	4.7082	2.1367	1.0994	6.5366	5.8095	5.8095	2.5118	2.5118		1.7805	1.7805
H13	4.7881	3.8952	2.6277	4.5199	2.1483	1.0994	5.7785	4.9738	4.6465	3.0842	2.5221	1.7805		1.7819
H14	4.7881	3.8952	2.6277	4.5199	2.1483	1.0994	5.7785	4.6465	4.9738	2.5221	3.0842	1.7805	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	111.215	C1	C2	O4	125.959
C2	C1	H7	109.545	C2	C1	H8	110.207
C2	C1	H9	110.207	C2	O3	C5	115.018
O3	C2	O4	122.826	O3	C5	C6	107.702
O3	C5	H10	108.791	O3	C5	H11	108.791
C5	C6	H12	110.106	C5	C6	H13	111.039
C5	C6	H14	111.039	C6	C5	H10	112.435
C6	C5	H11	112.435	H7	C1	H8	109.959
H7	C1	H9	109.959	H8	C1	H9	106.933
H10	C5	H11	106.597	H12	C6	H13	108.143
H12	C6	H14	108.143	H13	C6	H14	108.268

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.522
2	C	0.211
3	O	-0.157
4	O	-0.287
5	C	-0.228
6	C	-0.462
7	H	0.195
8	H	0.188
9	H	0.188
10	H	0.185
11	H	0.185
12	H	0.165
13	H	0.170
14	H	0.170

	x	y	z	Total
	0.246	2.026	0.000	2.041
CHELPG
AIM
ESP

	x	y	z
x	9.962	0.517	0.000
y	0.517	8.640	0.000
z	0.000	0.000	6.788

<r²>	198.329
(<r²>)^1/2	14.083

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

using model chemistry: LSDA/TZVP

States and conformations

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