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	hartrees
Energy at 0K	-268.362103
Energy at 298.15K	-268.369417
HF Energy	-268.362103
Nuclear repulsion energy	178.399804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	2985	13.86
2	A'	3119	2951	42.95
3	A'	3097	2930	13.19
4	A'	3079	2913	9.82
5	A'	1854	1754	361.26
6	A'	1532	1449	9.04
7	A'	1509	1428	3.30
8	A'	1445	1367	16.27
9	A'	1430	1353	2.02
10	A'	1405	1329	0.05
11	A'	1261	1193	449.72
12	A'	1152	1090	10.56
13	A'	1063	1006	19.55
14	A'	889	841	12.24
15	A'	810	767	3.14
16	A'	392	371	6.15
17	A'	237	224	7.87
18	A"	3171	3000	23.00
19	A"	3139	2970	4.81
20	A"	1497	1416	7.52
21	A"	1312	1241	1.57
22	A"	1193	1129	4.88
23	A"	1060	1003	0.14
24	A"	827	783	0.55
25	A"	351	333	25.02
26	A"	259	245	3.38
27	A"	82	77	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.169	-0.279	0.000
C2	-0.688	-0.570	0.000
O3	0.000	0.695	0.000
C4	1.330	0.631	0.000
O5	1.976	-0.376	0.000
H6	-2.729	-1.214	0.000
H7	-2.449	0.293	0.885
H8	-2.449	0.293	-0.885
H9	-0.381	-1.134	-0.881
H10	-0.381	-1.134	0.881
H11	1.751	1.644	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5093	2.3778	3.6155	4.1463	1.0902	1.0897	1.0897	2.1699	2.1699	4.3663
C2	1.5093		1.4398	2.3484	2.6713	2.1402	2.1508	2.1508	1.0910	1.0910	3.2938
O3	2.3778	1.4398		1.3313	2.2471	3.3306	2.6347	2.6347	2.0657	2.0657	1.9915
C4	3.6155	2.3484	1.3313		1.1962	4.4588	3.8956	3.8956	2.6114	2.6114	1.0965
O5	4.1463	2.6713	2.2471	1.1962		4.7793	4.5616	4.5616	2.6278	2.6278	2.0316
H6	1.0902	2.1402	3.3306	4.4588	4.7793		1.7697	1.7697	2.5099	2.5099	5.3141
H7	1.0897	2.1508	2.6347	3.8956	4.5616	1.7697		1.7696	3.0714	2.5127	4.4997
H8	1.0897	2.1508	2.6347	3.8956	4.5616	1.7697	1.7696		2.5127	3.0714	4.4997
H9	2.1699	1.0910	2.0657	2.6114	2.6278	2.5099	3.0714	2.5127		1.7630	3.6107
H10	2.1699	1.0910	2.0657	2.6114	2.6278	2.5099	2.5127	3.0714	1.7630		3.6107
H11	4.3663	3.2938	1.9915	1.0965	2.0316	5.3141	4.4997	4.4997	3.6107	3.6107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.445	C1	C2	H9	112.119
C1	C2	H10	112.119	C2	C1	H6	109.784
C2	C1	H7	110.661	C2	C1	H8	110.661
C2	O3	C4	115.823	O3	C2	H9	108.638
O3	C2	H10	108.638	O3	C4	O5	125.429
O3	C4	H11	109.854	O5	C4	H11	124.717
H6	C1	H7	108.549	H6	C1	H8	108.549
H7	C1	H8	108.578	H9	C2	H10	107.787

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.385
2	C	-0.126
3	O	-0.244
4	C	0.289
5	O	-0.368
6	H	0.136
7	H	0.144
8	H	0.144
9	H	0.154
10	H	0.154
11	H	0.103

	x	y	z	Total
	-2.018	0.598	0.000	2.105
CHELPG
AIM
ESP

	x	y	z
x	7.433	0.085	0.000
y	0.085	6.118	0.000
z	0.000	0.000	4.839

<r²>	134.838
(<r²>)^1/2	11.612

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

using model chemistry: M06-2X/TZVP

States and conformations

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