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	hartrees
Energy at 0K	-268.324468
Energy at 298.15K	-268.331505
HF Energy	-268.324468
Nuclear repulsion energy	176.680524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3056	3016	24.62
2	A'	2997	2958	13.86
3	A'	2986	2947	18.06
4	A'	2957	2919	71.90
5	A'	1743	1721	319.00
6	A'	1485	1466	7.28
7	A'	1469	1450	2.38
8	A'	1391	1373	9.68
9	A'	1367	1349	0.28
10	A'	1360	1342	6.53
11	A'	1149	1134	364.32
12	A'	1104	1090	12.72
13	A'	997	984	28.39
14	A'	822	812	14.63
15	A'	764	755	0.30
16	A'	371	366	4.69
17	A'	219	216	6.67
18	A"	3067	3027	39.60
19	A"	3035	2995	3.93
20	A"	1459	1440	6.19
21	A"	1268	1251	1.08
22	A"	1149	1134	3.53
23	A"	1001	988	0.04
24	A"	795	785	0.76
25	A"	342	337	18.77
26	A"	221	218	1.77
27	A"	46	45	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-2.191	-0.284	0.000
C2	-0.705	-0.576	0.000
O3	0.000	0.702	0.000
C4	1.343	0.633	0.000
O5	2.008	-0.372	0.000
H6	-2.747	-1.227	0.000
H7	-2.481	0.286	0.888
H8	-2.481	0.286	-0.888
H9	-0.393	-1.139	-0.885
H10	-0.393	-1.139	0.885
H11	1.748	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5144	2.4025	3.6513	4.2005	1.0948	1.0938	1.0938	2.1793	2.1793	4.3928
C2	1.5144		1.4596	2.3787	2.7213	2.1432	2.1643	2.1643	1.0945	1.0945	3.3195
O3	2.4025	1.4596		1.3449	2.2776	3.3565	2.6676	2.6676	2.0802	2.0802	1.9936
C4	3.6513	2.3787	1.3449		1.2056	4.4934	3.9411	3.9411	2.6341	2.6341	1.1037
O5	4.2005	2.7213	2.2776	1.2056		4.8319	4.6233	4.6233	2.6715	2.6715	2.0485
H6	1.0948	2.1432	3.3565	4.4934	4.8319		1.7739	1.7739	2.5168	2.5168	5.3425
H7	1.0938	2.1643	2.6676	3.9411	4.6233	1.7739		1.7757	3.0877	2.5281	4.5346
H8	1.0938	2.1643	2.6676	3.9411	4.6233	1.7739	1.7757		2.5281	3.0877	4.5346
H9	2.1793	1.0945	2.0802	2.6341	2.6715	2.5168	3.0877	2.5281		1.7696	3.6336
H10	2.1793	1.0945	2.0802	2.6341	2.6715	2.5168	2.5281	3.0877	1.7696		3.6336
H11	4.3928	3.3195	1.9936	1.1037	2.0485	5.3425	4.5346	4.5346	3.6336	3.6336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.755	C1	C2	H9	112.305
C1	C2	H10	112.305	C2	C1	H6	109.392
C2	C1	H7	111.127	C2	C1	H8	111.127
C2	O3	C4	115.968	O3	C2	H9	108.221
O3	C2	H10	108.221	O3	C4	O5	126.417
O3	C4	H11	108.618	O5	C4	H11	124.965
H6	C1	H7	108.289	H6	C1	H8	108.289
H7	C1	H8	108.531	H9	C2	H10	107.889

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.139
3	O	-0.502
4	C	0.597
5	O	-0.581
6	H	0.122
7	H	0.124
8	H	0.124
9	H	0.128
10	H	0.128
11	H	0.111

	x	y	z	Total
	-2.189	0.472	0.000	2.240
CHELPG
AIM
ESP

	x	y	z
x	8.869	0.269	0.000
y	0.269	7.006	0.000
z	0.000	0.000	5.518

<r²>	137.512
(<r²>)^1/2	11.727

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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