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	hartrees
Energy at 0K	-268.140175
Energy at 298.15K	-268.147086
HF Energy	-268.140175
Nuclear repulsion energy	173.644069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3089	3089	28.56
2	A'	3049	3049	64.78
3	A'	3026	3026	14.50
4	A'	3005	3005	20.80
5	A'	1658	1658	221.86
6	A'	1526	1526	9.24
7	A'	1515	1515	3.78
8	A'	1436	1436	8.85
9	A'	1382	1382	9.62
10	A'	1365	1365	13.09
11	A'	1126	1126	4.99
12	A'	1109	1109	330.57
13	A'	1011	1011	28.17
14	A'	782	782	14.21
15	A'	740	740	1.10
16	A'	363	363	6.28
17	A'	208	208	6.99
18	A"	3109	3109	47.71
19	A"	3077	3077	4.75
20	A"	1505	1505	7.17
21	A"	1278	1278	0.03
22	A"	1161	1161	6.52
23	A"	979	979	0.33
24	A"	822	822	1.56
25	A"	337	337	26.73
26	A"	215	215	2.00
27	A"	18	18	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.220	-0.257	0.000
C2	-0.739	-0.596	0.000
O3	0.000	0.712	0.000
C4	1.375	0.639	0.000
O5	2.046	-0.402	0.000
H6	-2.812	-1.185	0.000
H7	-2.488	0.326	0.891
H8	-2.488	0.326	-0.891
H9	-0.428	-1.158	-0.891
H10	-0.428	-1.158	0.891
H11	1.781	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5195	2.4225	3.7057	4.2683	1.0999	1.0979	1.0979	2.1943	2.1943	4.4369
C2	1.5195		1.5021	2.4486	2.7914	2.1546	2.1685	2.1685	1.0980	1.0980	3.3823
O3	2.4225	1.5021		1.3774	2.3292	3.3914	2.6708	2.6708	2.1148	2.1148	2.0177
C4	3.7057	2.4486	1.3774		1.2380	4.5670	3.9773	3.9773	2.6973	2.6973	1.0989
O5	4.2683	2.7914	2.3292	1.2380		4.9199	4.6773	4.6773	2.7360	2.7360	2.0792
H6	1.0999	2.1546	3.3914	4.5670	4.9199		1.7831	1.7831	2.5444	2.5444	5.4023
H7	1.0979	2.1685	2.6708	3.9773	4.6773	1.7831		1.7818	3.1012	2.5383	4.5605
H8	1.0979	2.1685	2.6708	3.9773	4.6773	1.7831	1.7818		2.5383	3.1012	4.5605
H9	2.1943	1.0980	2.1148	2.6973	2.7360	2.5444	3.1012	2.5383		1.7815	3.6900
H10	2.1943	1.0980	2.1148	2.6973	2.7360	2.5444	2.5383	3.1012	1.7815		3.6900
H11	4.4369	3.3823	2.0177	1.0989	2.0792	5.4023	4.5605	4.5605	3.6900	3.6900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.593	C1	C2	H9	112.943
C1	C2	H10	112.943	C2	C1	H6	109.651
C2	C1	H7	110.864	C2	C1	H8	110.864
C2	O3	C4	116.437	O3	C2	H9	107.839
O3	C2	H10	107.839	O3	C4	O5	125.810
O3	C4	H11	108.616	O5	C4	H11	125.575
H6	C1	H7	108.453	H6	C1	H8	108.453
H7	C1	H8	108.484	H9	C2	H10	108.435

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

using model chemistry: B97D3/6-31G

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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Number	Element	Mulliken
1	C	-0.434
2	C	-0.060
3	O	-0.450
4	C	0.344
5	O	-0.395
6	H	0.152
7	H	0.166
8	H	0.166
9	H	0.176
10	H	0.176
11	H	0.159

	x	y	z	Total
	-2.205	0.300	0.000	2.225
CHELPG
AIM
ESP

	x	y	z
x	7.381	0.280	0.000
y	0.280	5.725	0.000
z	0.000	0.000	4.068

<r²>	141.092
(<r²>)^1/2	11.878

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

using model chemistry: B97D3/6-31G

States and conformations

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