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	hartrees
Energy at 0K	-264.746858
Energy at 298.15K
HF Energy	-264.746858
Nuclear repulsion energy	170.485338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3377	3125	0.94
2	A'	3217	2976	1.00
3	A'	3173	2936	4.52
4	A'	3091	2859	24.47
5	A'	1765	1633	91.27
6	A'	1639	1516	3.80
7	A'	1600	1480	5.77
8	A'	1519	1405	0.42
9	A'	1402	1297	35.69
10	A'	1373	1270	2.05
11	A'	1169	1082	33.51
12	A'	1100	1017	86.62
13	A'	1042	964	13.39
14	A'	877	811	4.68
15	A'	710	657	4.03
16	A'	347	321	2.35
17	A'	210	194	2.97
18	A"	3384	3131	1.69
19	A"	3275	3030	6.27
20	A"	1627	1505	3.29
21	A"	1305	1208	0.11
22	A"	1165	1078	5.02
23	A"	877	812	0.90
24	A"	831	769	1.77
25	A"	326	301	7.73
26	A"	187	173	0.25
27	A"	20i	18i	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.255	-0.226	0.000
C2	-0.719	-0.529	0.000
O3	0.000	0.805	0.000
C4	1.432	0.584	0.000
O5	2.011	-0.539	0.000
H6	-2.821	-1.180	0.000
H7	-2.535	0.355	0.901
H8	-2.535	0.355	-0.901
H9	-0.425	-1.119	-0.905
H10	-0.425	-1.119	0.905
H11	1.905	1.613	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5657	2.4793	3.7745	4.2771	1.1090	1.1083	1.1083	2.2282	2.2282	4.5483
C2	1.5657		1.5153	2.4215	2.7295	2.2009	2.2124	2.2124	1.1198	1.1198	3.3873
O3	2.4793	1.5153		1.4487	2.4186	3.4493	2.7282	2.7282	2.1685	2.1685	2.0694
C4	3.7745	2.4215	1.4487		1.2635	4.6042	4.0747	4.0747	2.6774	2.6774	1.1328
O5	4.2771	2.7295	2.4186	1.2635		4.8743	4.7202	4.7202	2.6627	2.6627	2.1548
H6	1.1090	2.2009	3.4493	4.6042	4.8743		1.8023	1.8023	2.5622	2.5622	5.4897
H7	1.1083	2.2124	2.7282	4.0747	4.7202	1.8023		1.8021	3.1448	2.5743	4.7025
H8	1.1083	2.2124	2.7282	4.0747	4.7202	1.8023	1.8021		2.5743	3.1448	4.7025
H9	2.2282	1.1198	2.1685	2.6774	2.6627	2.5622	3.1448	2.5743		1.8106	3.7034
H10	2.2282	1.1198	2.1685	2.6774	2.6627	2.5622	2.5743	3.1448	1.8106		3.7034
H11	4.5483	3.3873	2.0694	1.1328	2.1548	5.4897	4.7025	4.7025	3.7034	3.7034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.149	C1	C2	H9	111.052
C1	C2	H10	111.052	C2	C1	H6	109.554
C2	C1	H7	110.485	C2	C1	H8	110.485
C2	O3	C4	109.539	O3	C2	H9	109.852
O3	C2	H10	109.852	O3	C4	O5	126.048
O3	C4	H11	105.922	O5	C4	H11	128.030
H6	C1	H7	108.745	H6	C1	H8	108.745
H7	C1	H8	108.783	H9	C2	H10	107.890

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

using model chemistry: BLYP/STO-3G

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	-0.215
2	C	-0.047
3	O	-0.139
4	C	0.111
5	O	-0.188
6	H	0.081
7	H	0.082
8	H	0.082
9	H	0.083
10	H	0.083
11	H	0.067

	x	y	z	Total
	-1.348	0.121	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	4.790	0.267	0.000
y	0.267	3.346	0.000
z	0.000	0.000	2.041

<r²>	142.040
(<r²>)^1/2	11.918

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

using model chemistry: BLYP/STO-3G

States and conformations

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