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	hartrees
Energy at 0K	-307.004659
Energy at 298.15K
HF Energy	-305.980590
Nuclear repulsion energy	243.975296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3056	8.20
2	A'	3152	3008	27.23
3	A'	3096	2954	16.65
4	A'	3091	2950	2.83
5	A'	3075	2935	16.97
6	A'	1844	1760	259.91
7	A'	1553	1483	5.01
8	A'	1528	1459	2.82
9	A'	1506	1437	10.98
10	A'	1473	1406	2.76
11	A'	1443	1377	56.42
12	A'	1428	1363	12.70
13	A'	1313	1253	436.85
14	A'	1168	1114	15.01
15	A'	1116	1065	85.72
16	A'	1040	992	8.72
17	A'	968	924	6.57
18	A'	891	851	13.26
19	A'	655	625	7.99
20	A'	439	419	0.77
21	A'	380	363	8.54
22	A'	200	191	5.02
23	A"	3164	3020	33.01
24	A"	3164	3020	16.60
25	A"	3137	2994	4.31
26	A"	1508	1439	5.38
27	A"	1498	1430	7.41
28	A"	1322	1262	1.38
29	A"	1212	1157	3.77
30	A"	1086	1036	3.41
31	A"	832	794	0.01
32	A"	599	572	7.43
33	A"	263	251	1.03
34	A"	147	140	4.94
35	A"	70	67	0.24
36	A"	33	32	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	-2.309	0.030	0.000
C2	-0.905	-0.519	0.000
O3	0.000	0.480	0.000
O4	-0.609	-1.687	0.000
C5	1.378	0.065	0.000
C6	2.227	1.318	0.000
H7	-3.017	-0.794	0.000
H8	-2.459	0.653	0.882
H9	-2.459	0.653	-0.882
H10	1.564	-0.549	0.883
H11	1.564	-0.549	-0.883
H12	3.284	1.043	0.000
H13	2.025	1.920	-0.887
H14	2.025	1.920	0.887

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5066	2.3521	2.4157	3.6868	4.7147	1.0869	1.0906	1.0906	4.0144	4.0144	5.6833	4.8104	4.8104
C2	1.5066		1.3479	1.2049	2.3568	3.6309	2.1299	2.1366	2.1366	2.6231	2.6231	4.4707	3.9143	3.9143
O3	2.3521	1.3479		2.2501	1.4390	2.3791	3.2754	2.6181	2.6181	2.0701	2.0701	3.3315	2.6384	2.6384
O4	2.4157	1.2049	2.2501		2.6483	4.1309	2.5688	3.1108	3.1108	2.6066	2.6066	4.7539	4.5530	4.5530
C5	3.6868	2.3568	1.4390	2.6483		1.5134	4.4786	3.9807	3.9807	1.0913	1.0913	2.1421	2.1557	2.1557
C6	4.7147	3.6309	2.3791	4.1309	1.5134		5.6534	4.8140	4.8140	2.1687	2.1687	1.0920	1.0908	1.0908
H7	1.0869	2.1299	3.2754	2.5688	4.4786	5.6534		1.7847	1.7847	4.6726	4.6726	6.5634	5.7948	5.7948
H8	1.0906	2.1366	2.6181	3.1108	3.9807	4.8140	1.7847		1.7638	4.1993	4.5550	5.8229	4.9837	4.6594
H9	1.0906	2.1366	2.6181	3.1108	3.9807	4.8140	1.7847	1.7638		4.5550	4.1993	5.8229	4.6594	4.9837
H10	4.0144	2.6231	2.0701	2.6066	1.0913	2.1687	4.6726	4.1993	4.5550		1.7653	2.5040	3.0726	2.5120
H11	4.0144	2.6231	2.0701	2.6066	1.0913	2.1687	4.6726	4.5550	4.1993	1.7653		2.5040	2.5120	3.0726
H12	5.6833	4.4707	3.3315	4.7539	2.1421	1.0920	6.5634	5.8229	5.8229	2.5040	2.5040		1.7719	1.7719
H13	4.8104	3.9143	2.6384	4.5530	2.1557	1.0908	5.7948	4.9837	4.6594	3.0726	2.5120	1.7719		1.7735
H14	4.8104	3.9143	2.6384	4.5530	2.1557	1.0908	5.7948	4.6594	4.9837	2.5120	3.0726	1.7719	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.854	C1	C2	O4	125.616
C2	C1	H7	109.355	C2	C1	H8	109.669
C2	C1	H9	109.669	C2	O3	C5	115.449
O3	C2	O4	123.530	O3	C5	C6	107.355
O3	C5	H10	109.020	O3	C5	H11	109.020
C5	C6	H12	109.544	C5	C6	H13	110.699
C5	C6	H14	110.699	C6	C5	H10	111.717
C6	C5	H11	111.717	H7	C1	H8	110.100
H7	C1	H9	110.100	H8	C1	H9	107.930
H10	C5	H11	107.958	H12	C6	H13	108.538
H12	C6	H14	108.538	H13	C6	H14	108.765

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

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

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