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	hartrees
Energy at 0K	-268.238954
Energy at 298.15K	-268.232192
HF Energy	-268.404022
Nuclear repulsion energy	177.497880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3122	3012	20.19
2	A'	3054	2947	12.86
3	A'	3047	2940	13.27
4	A'	3028	2922	68.27
5	A'	1821	1757	272.44
6	A'	1518	1465	7.06
7	A'	1496	1444	2.09
8	A'	1421	1372	9.99
9	A'	1406	1357	1.70
10	A'	1393	1344	3.63
11	A'	1217	1175	378.27
12	A'	1132	1092	10.36
13	A'	1033	996	19.67
14	A'	857	827	11.44
15	A'	791	763	1.92
16	A'	378	365	5.48
17	A'	224	217	6.68
18	A"	3128	3018	31.99
19	A"	3093	2985	6.79
20	A"	1486	1434	4.53
21	A"	1291	1246	1.16
22	A"	1183	1141	4.29
23	A"	1046	1009	0.34
24	A"	807	779	0.69
25	A"	348	336	18.23
26	A"	230	222	1.61
27	A"	54	52	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-2.182	-0.278	0.000
C2	-0.694	-0.571	0.000
O3	0.000	0.698	0.000
C4	1.336	0.629	0.000
O5	1.993	-0.376	0.000
H6	-2.743	-1.217	0.000
H7	-2.467	0.294	0.887
H8	-2.467	0.294	-0.887
H9	-0.385	-1.139	-0.883
H10	-0.385	-1.139	0.883
H11	1.743	1.652	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5159	2.3902	3.6328	4.1761	1.0940	1.0936	1.0936	2.1792	2.1792	4.3736
C2	1.5159		1.4465	2.3585	2.6947	2.1482	2.1631	2.1631	1.0944	1.0944	3.2989
O3	2.3902	1.4465		1.3377	2.2641	3.3455	2.6528	2.6528	2.0743	2.0743	1.9869
C4	3.6328	2.3585	1.3377		1.2009	4.4774	3.9197	3.9197	2.6207	2.6207	1.1012
O5	4.1761	2.6947	2.2641	1.2009		4.8104	4.5971	4.5971	2.6491	2.6491	2.0439
H6	1.0940	2.1482	3.3455	4.4774	4.8104		1.7742	1.7742	2.5190	2.5190	5.3251
H7	1.0936	2.1631	2.6528	3.9197	4.5971	1.7742		1.7736	3.0859	2.5283	4.5116
H8	1.0936	2.1631	2.6528	3.9197	4.5971	1.7742	1.7736		2.5283	3.0859	4.5116
H9	2.1792	1.0944	2.0743	2.6207	2.6491	2.5190	3.0859	2.5283		1.7650	3.6194
H10	2.1792	1.0944	2.0743	2.6207	2.6491	2.5190	2.5283	3.0859	1.7650		3.6194
H11	4.3736	3.2989	1.9869	1.1012	2.0439	5.3251	4.5116	4.5116	3.6194	3.6194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.560	C1	C2	H9	112.190
C1	C2	H10	112.190	C2	C1	H6	109.731
C2	C1	H7	110.949	C2	C1	H8	110.949
C2	O3	C4	115.751	O3	C2	H9	108.657
O3	C2	H10	108.657	O3	C4	O5	126.136
O3	C4	H11	108.719	O5	C4	H11	125.145
H6	C1	H7	108.383	H6	C1	H8	108.383
H7	C1	H8	108.368	H9	C2	H10	107.492

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

using model chemistry: G4

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	-0.391
2	C	-0.040
3	O	-0.203
4	C	0.186
5	O	-0.303
6	H	0.125
7	H	0.132
8	H	0.132
9	H	0.127
10	H	0.127
11	H	0.108

	x	y	z	Total
	-2.000	0.524	0.000	2.068
CHELPG
AIM
ESP

<r²>	135.740
(<r²>)^1/2	11.651

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

using model chemistry: G4

States and conformations

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