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	hartrees
Energy at 0K	-267.478619
Energy at 298.15K	-267.485970
HF Energy	-266.828533
Nuclear repulsion energy	178.566819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3012	23.27
2	A'	3220	2981	58.03
3	A'	3200	2963	16.04
4	A'	3174	2938	14.46
5	A'	1931	1788	330.26
6	A'	1618	1498	6.19
7	A'	1594	1476	2.66
8	A'	1529	1416	18.86
9	A'	1492	1381	3.24
10	A'	1482	1372	2.10
11	A'	1328	1229	467.50
12	A'	1206	1116	12.30
13	A'	1106	1024	16.82
14	A'	922	854	13.81
15	A'	832	770	4.65
16	A'	401	371	6.93
17	A'	241	223	8.43
18	A"	3268	3025	41.04
19	A"	3245	3004	2.44
20	A"	1582	1465	5.44
21	A"	1374	1272	0.93
22	A"	1257	1164	5.65
23	A"	1118	1035	1.67
24	A"	857	793	0.22
25	A"	355	329	26.56
26	A"	254	235	3.59
27	A"	76	70	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-2.168	-0.267	0.000
C2	-0.689	-0.570	0.000
O3	0.000	0.691	0.000
C4	1.327	0.625	0.000
O5	1.979	-0.380	0.000
H6	-2.736	-1.196	0.000
H7	-2.443	0.306	0.883
H8	-2.443	0.306	-0.883
H9	-0.387	-1.134	-0.879
H10	-0.387	-1.134	0.879
H11	1.747	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5092	2.3704	3.6073	4.1484	1.0888	1.0876	1.0876	2.1665	2.1665	4.3517
C2	1.5092		1.4367	2.3438	2.6749	2.1406	2.1493	2.1493	1.0872	1.0872	3.2842
O3	2.3704	1.4367		1.3287	2.2501	3.3239	2.6258	2.6258	2.0621	2.0621	1.9846
C4	3.6073	2.3438	1.3287		1.1980	4.4528	3.8850	3.8850	2.6089	2.6089	1.0916
O5	4.1484	2.6749	2.2501	1.1980		4.7851	4.5607	4.5607	2.6344	2.6344	2.0262
H6	1.0888	2.1406	3.3239	4.4528	4.7851		1.7666	1.7666	2.5086	2.5086	5.3010
H7	1.0876	2.1493	2.6258	3.8850	4.5607	1.7666		1.7653	3.0659	2.5092	4.4826
H8	1.0876	2.1493	2.6258	3.8850	4.5607	1.7666	1.7653		2.5092	3.0659	4.4826
H9	2.1665	1.0872	2.0621	2.6089	2.6344	2.5086	3.0659	2.5092		1.7579	3.6030
H10	2.1665	1.0872	2.0621	2.6089	2.6344	2.5086	2.5092	3.0659	1.7579		3.6030
H11	4.3517	3.2842	1.9846	1.0916	2.0262	5.3010	4.4826	4.4826	3.6030	3.6030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.124	C1	C2	H9	112.085
C1	C2	H10	112.085	C2	C1	H6	109.903
C2	C1	H7	110.669	C2	C1	H8	110.669
C2	O3	C4	115.836	O3	C2	H9	108.787
O3	C2	H10	108.787	O3	C4	O5	125.794
O3	C4	H11	109.777	O5	C4	H11	124.429
H6	C1	H7	108.521	H6	C1	H8	108.521
H7	C1	H8	108.494	H9	C2	H10	107.890

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)

using model chemistry: CISD/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 HCOOC2H5 (Ethyl formate)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for HCOOC₂H₅ (Ethyl formate)