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	hartrees
Energy at 0K	-268.198462
Energy at 298.15K	-268.205647
HF Energy	-268.198462
Nuclear repulsion energy	178.488266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3134	17.07
2	A'	3065	3065	10.51
3	A'	3056	3056	12.67
4	A'	3045	3045	58.05
5	A'	1827	1827	345.51
6	A'	1514	1514	9.73
7	A'	1493	1493	2.59
8	A'	1423	1423	12.55
9	A'	1401	1401	1.30
10	A'	1388	1388	0.29
11	A'	1242	1242	403.83
12	A'	1139	1139	8.95
13	A'	1050	1050	23.58
14	A'	869	869	10.01
15	A'	801	801	2.24
16	A'	383	383	5.71
17	A'	226	226	7.48
18	A"	3139	3139	27.61
19	A"	3104	3104	4.55
20	A"	1481	1481	7.46
21	A"	1298	1298	1.46
22	A"	1178	1178	3.96
23	A"	1051	1051	0.01
24	A"	806	806	1.09
25	A"	353	353	20.82
26	A"	232	232	2.04
27	A"	59	59	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	-2.168	-0.285	0.000
C2	-0.690	-0.566	0.000
O3	0.000	0.695	0.000
C4	1.326	0.631	0.000
O5	1.980	-0.371	0.000
H6	-2.721	-1.225	0.000
H7	-2.459	0.283	0.884
H8	-2.459	0.283	-0.884
H9	-0.378	-1.132	-0.880
H10	-0.378	-1.132	0.880
H11	1.741	1.649	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5048	2.3788	3.6120	4.1490	1.0909	1.0903	1.0903	2.1668	2.1668	4.3605
C2	1.5048		1.4374	2.3445	2.6771	2.1352	2.1525	2.1525	1.0916	1.0916	3.2883
O3	2.3788	1.4374		1.3278	2.2487	3.3299	2.6453	2.6453	2.0626	2.0626	1.9849
C4	3.6120	2.3445	1.3278		1.1961	4.4522	3.9026	3.9026	2.6051	2.6051	1.0991
O5	4.1490	2.6771	2.2487	1.1961		4.7780	4.5733	4.5733	2.6300	2.6300	2.0336
H6	1.0909	2.1352	3.3299	4.4522	4.7780		1.7675	1.7675	2.5042	2.5042	5.3068
H7	1.0903	2.1525	2.6453	3.9026	4.5733	1.7675		1.7688	3.0731	2.5159	4.5037
H8	1.0903	2.1525	2.6453	3.9026	4.5733	1.7675	1.7688		2.5159	3.0731	4.5037
H9	2.1668	1.0916	2.0626	2.6051	2.6300	2.5042	3.0731	2.5159		1.7606	3.6050
H10	2.1668	1.0916	2.0626	2.6051	2.6300	2.5042	2.5159	3.0731	1.7606		3.6050
H11	4.3605	3.2883	1.9849	1.0991	2.0336	5.3068	4.5037	4.5037	3.6050	3.6050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.880	C1	C2	H9	112.160
C1	C2	H10	112.160	C2	C1	H6	109.666
C2	C1	H7	111.077	C2	C1	H8	111.077
C2	O3	C4	115.904	O3	C2	H9	108.517
O3	C2	H10	108.517	O3	C4	O5	125.918
O3	C4	H11	109.380	O5	C4	H11	124.702
H6	C1	H7	108.260	H6	C1	H8	108.260
H7	C1	H8	108.411	H9	C2	H10	107.498

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

using model chemistry: HSEh1PBE/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	-0.392
2	C	0.105
3	O	-0.536
4	C	0.645
5	O	-0.613
6	H	0.128
7	H	0.132
8	H	0.132
9	H	0.140
10	H	0.140
11	H	0.121

	x	y	z	Total
	-2.135	0.577	0.000	2.212
CHELPG
AIM
ESP

	x	y	z
x	8.324	0.211	0.000
y	0.211	6.670	0.000
z	0.000	0.000	5.325

<r²>	134.811
(<r²>)^1/2	11.611

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

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

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