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	hartrees
Energy at 0K	-306.858279
Energy at 298.15K
HF Energy	-305.886567
Nuclear repulsion energy	243.389086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3058	8.60
2	A'	3201	3014	25.68
3	A'	3132	2949	17.96
4	A'	3130	2946	2.08
5	A'	3116	2934	16.40
6	A'	1854	1745	212.39
7	A'	1579	1486	2.99
8	A'	1557	1465	2.07
9	A'	1533	1443	10.30
10	A'	1486	1399	3.36
11	A'	1461	1375	60.79
12	A'	1436	1352	8.70
13	A'	1327	1249	411.05
14	A'	1175	1106	13.50
15	A'	1121	1055	82.85
16	A'	1046	985	7.80
17	A'	973	916	6.68
18	A'	888	836	11.49
19	A'	649	611	9.35
20	A'	434	408	0.74
21	A'	377	355	9.80
22	A'	199	188	4.93
23	A"	3212	3024	39.94
24	A"	3210	3022	5.99
25	A"	3180	2993	10.60
26	A"	1545	1455	3.88
27	A"	1535	1445	6.14
28	A"	1328	1250	0.62
29	A"	1221	1149	4.61
30	A"	1096	1032	5.12
31	A"	833	784	0.05
32	A"	607	571	8.11
33	A"	276	260	1.03
34	A"	154	145	4.56
35	A"	78	74	0.04
36	A"	65	61	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.032	0.000
C2	-0.908	-0.518	0.000
O3	0.000	0.488	0.000
O4	-0.607	-1.695	0.000
C5	1.381	0.062	0.000
C6	2.229	1.316	0.000
H7	-3.020	-0.791	0.000
H8	-2.462	0.656	0.880
H9	-2.462	0.656	-0.880
H10	1.562	-0.555	0.881
H11	1.562	-0.555	-0.881
H12	3.286	1.049	0.000
H13	2.023	1.918	-0.884
H14	2.023	1.918	0.884

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5081	2.3565	2.4270	3.6927	4.7189	1.0858	1.0895	1.0895	4.0157	4.0157	5.6896	4.8092	4.8092
C2	1.5081		1.3550	1.2150	2.3607	3.6333	2.1301	2.1373	2.1373	2.6220	2.6220	4.4767	3.9118	3.9118
O3	2.3565	1.3550		2.2659	1.4450	2.3776	3.2799	2.6196	2.6196	2.0745	2.0745	3.3336	2.6302	2.6302
O4	2.4270	1.2150	2.2659		2.6525	4.1359	2.5772	3.1215	3.1215	2.6030	2.6030	4.7623	4.5550	4.5550
C5	3.6927	2.3607	1.4450	2.6525		1.5140	4.4828	3.9864	3.9864	1.0905	1.0905	2.1456	2.1538	2.1538
C6	4.7189	3.6333	2.3776	4.1359	1.5140		5.6562	4.8178	4.8178	2.1731	2.1731	1.0906	1.0895	1.0895
H7	1.0858	2.1301	3.2799	2.5772	4.4828	5.6562		1.7837	1.7837	4.6717	4.6717	6.5691	5.7924	5.7924
H8	1.0895	2.1373	2.6196	3.1215	3.9864	4.8178	1.7837		1.7607	4.2017	4.5558	5.8280	4.9816	4.6585
H9	1.0895	2.1373	2.6196	3.1215	3.9864	4.8178	1.7837	1.7607		4.5558	4.2017	5.8280	4.6585	4.9816
H10	4.0157	2.6220	2.0745	2.6030	1.0905	2.1731	4.6717	4.2017	4.5558		1.7612	2.5141	3.0732	2.5158
H11	4.0157	2.6220	2.0745	2.6030	1.0905	2.1731	4.6717	4.5558	4.2017	1.7612		2.5141	2.5158	3.0732
H12	5.6896	4.4767	3.3336	4.7623	2.1456	1.0906	6.5691	5.8280	5.8280	2.5141	2.5141		1.7705	1.7705
H13	4.8092	3.9118	2.6302	4.5550	2.1538	1.0895	5.7924	4.9816	4.6585	3.0732	2.5158	1.7705		1.7690
H14	4.8092	3.9118	2.6302	4.5550	2.1538	1.0895	5.7924	4.6585	4.9816	2.5158	3.0732	1.7705	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.671	C1	C2	O4	125.730
C2	C1	H7	109.328	C2	C1	H8	109.681
C2	C1	H9	109.681	C2	O3	C5	114.896
O3	C2	O4	123.598	O3	C5	C6	106.915
O3	C5	H10	109.002	O3	C5	H11	109.002
C5	C6	H12	109.865	C5	C6	H13	110.584
C5	C6	H14	110.584	C6	C5	H10	112.078
C6	C5	H11	112.078	H7	C1	H8	110.161
H7	C1	H9	110.161	H8	C1	H9	107.811
H10	C5	H11	107.702	H12	C6	H13	108.602
H12	C6	H14	108.602	H13	C6	H14	108.547

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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