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	hartrees
Energy at 0K	-307.162925
Energy at 298.15K
HF Energy	-305.990819
Nuclear repulsion energy	244.776478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	2990	5.86
2	A'	3154	2945	21.32
3	A'	3093	2888	15.47
4	A'	3088	2884	1.53
5	A'	3073	2869	14.34
6	A'	1876	1751	255.50
7	A'	1549	1446	4.86
8	A'	1522	1421	2.67
9	A'	1496	1397	12.94
10	A'	1462	1365	10.71
11	A'	1432	1337	92.75
12	A'	1414	1320	19.07
13	A'	1324	1236	411.42
14	A'	1166	1089	23.25
15	A'	1126	1051	66.73
16	A'	1035	966	7.11
17	A'	977	912	5.22
18	A'	891	832	9.69
19	A'	657	614	9.11
20	A'	435	406	0.84
21	A'	379	354	9.21
22	A'	199	186	5.05
23	A"	3162	2952	7.65
24	A"	3161	2951	31.49
25	A"	3133	2926	3.93
26	A"	1509	1409	5.91
27	A"	1503	1403	7.02
28	A"	1323	1236	1.53
29	A"	1206	1126	3.73
30	A"	1091	1018	5.31
31	A"	823	769	0.30
32	A"	623	582	5.77
33	A"	268	250	1.05
34	A"	154	144	4.49
35	A"	79	73	0.08
36	A"	65	61	0.57

Atom	x (Å)	y (Å)	z (Å)
C1	-2.303	0.029	0.000
C2	-0.901	-0.515	0.000
O3	0.000	0.479	0.000
O4	-0.607	-1.678	0.000
C5	1.371	0.062	0.000
C6	2.223	1.311	0.000
H7	-3.010	-0.793	0.000
H8	-2.453	0.654	0.878
H9	-2.453	0.654	-0.878
H10	1.555	-0.554	0.879
H11	1.555	-0.554	-0.879
H12	3.277	1.038	0.000
H13	2.021	1.914	-0.883
H14	2.021	1.914	0.883

	C1	C2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.5033	2.3462	2.4066	3.6737	4.7031	1.0845	1.0885	1.0885	3.9994	3.9994	5.6705	4.7992	4.7992
C2	1.5033		1.3415	1.2002	2.3441	3.6180	2.1270	2.1323	2.1323	2.6092	2.6092	4.4578	3.9017	3.9017
O3	2.3462	1.3415		2.2408	1.4330	2.3730	3.2676	2.6116	2.6116	2.0636	2.0636	3.3248	2.6320	2.6320
O4	2.4066	1.2002	2.2408		2.6339	4.1154	2.5612	3.1019	3.1019	2.5902	2.5902	4.7396	4.5381	4.5381
C5	3.6737	2.3441	1.4330	2.6339		1.5117	4.4634	3.9682	3.9682	1.0891	1.0891	2.1420	2.1532	2.1532
C6	4.7031	3.6180	2.3730	4.1154	1.5117		5.6395	4.8026	4.8026	2.1670	2.1670	1.0895	1.0888	1.0888
H7	1.0845	2.1270	3.2676	2.5612	4.4634	5.6395		1.7821	1.7821	4.6550	4.6550	6.5485	5.7814	5.7814
H8	1.0885	2.1323	2.6116	3.1019	3.9682	4.8026	1.7821		1.7569	4.1865	4.5405	5.8103	4.9714	4.6488
H9	1.0885	2.1323	2.6116	3.1019	3.9682	4.8026	1.7821	1.7569		4.5405	4.1865	5.8103	4.6488	4.9714
H10	3.9994	2.6092	2.0636	2.5902	1.0891	2.1670	4.6550	4.1865	4.5405		1.7583	2.5050	3.0689	2.5123
H11	3.9994	2.6092	2.0636	2.5902	1.0891	2.1670	4.6550	4.5405	4.1865	1.7583		2.5050	2.5123	3.0689
H12	5.6705	4.4578	3.3248	4.7396	2.1420	1.0895	6.5485	5.8103	5.8103	2.5050	2.5050		1.7679	1.7679
H13	4.7992	3.9017	2.6320	4.5381	2.1532	1.0888	5.7814	4.9714	4.6488	3.0689	2.5123	1.7679		1.7669
H14	4.7992	3.9017	2.6320	4.5381	2.1532	1.0888	5.7814	4.6488	4.9714	2.5123	3.0689	1.7679	1.7669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	110.991	C1	C2	O4	125.423
C2	C1	H7	109.489	C2	C1	H8	109.676
C2	C1	H9	109.676	C2	O3	C5	115.273
O3	C2	O4	123.585	O3	C5	C6	107.358
O3	C5	H10	109.053	O3	C5	H11	109.053
C5	C6	H12	109.812	C5	C6	H13	110.741
C5	C6	H14	110.741	C6	C5	H10	111.834
C6	C5	H11	111.834	H7	C1	H8	110.185
H7	C1	H9	110.185	H8	C1	H9	107.607
H10	C5	H11	107.657	H12	C6	H13	108.510
H12	C6	H14	108.510	H13	C6	H14	108.462

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

using model chemistry: CCD/cc-pVTZ

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/cc-pVTZ

States and conformations

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