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	hartrees
Energy at 0K	-268.108363
Energy at 298.15K	-268.115544
HF Energy	-268.108363
Nuclear repulsion energy	178.055815

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3021	17.30
2	A'	3086	2945	10.42
3	A'	3078	2937	11.31
4	A'	3074	2934	72.94
5	A'	1861	1776	290.01
6	A'	1527	1457	7.71
7	A'	1508	1439	2.23
8	A'	1437	1371	15.72
9	A'	1414	1349	1.85
10	A'	1393	1329	0.80
11	A'	1258	1201	389.41
12	A'	1146	1094	11.67
13	A'	1059	1011	21.65
14	A'	877	837	9.13
15	A'	804	767	3.54
16	A'	384	367	6.67
17	A'	228	218	7.33
18	A"	3171	3026	27.14
19	A"	3133	2990	9.42
20	A"	1496	1427	6.31
21	A"	1301	1241	0.95
22	A"	1186	1132	5.13
23	A"	1048	1000	0.34
24	A"	810	773	1.14
25	A"	358	342	20.92
26	A"	238	227	1.98
27	A"	54	51	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.170	-0.270	0.000
C2	-0.690	-0.562	0.000
O3	0.000	0.702	0.000
C4	1.332	0.623	0.000
O5	1.978	-0.392	0.000
H6	-2.733	-1.207	0.000
H7	-2.455	0.303	0.887
H8	-2.455	0.303	-0.887
H9	-0.380	-1.131	-0.882
H10	-0.380	-1.131	0.882
H11	1.753	1.640	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5086	2.3779	3.6137	4.1500	1.0937	1.0932	1.0932	2.1734	2.1734	4.3637
C2	1.5086		1.4401	2.3432	2.6735	2.1427	2.1562	2.1562	1.0946	1.0946	3.2892
O3	2.3779	1.4401		1.3339	2.2605	3.3342	2.6408	2.6408	2.0695	2.0695	1.9885
C4	3.6137	2.3432	1.3339		1.2034	4.4579	3.9023	3.9023	2.6046	2.6046	1.1011
O5	4.1500	2.6735	2.2605	1.2034		4.7813	4.5741	4.5741	2.6240	2.6240	2.0444
H6	1.0937	2.1427	3.3342	4.4579	4.7813		1.7731	1.7731	2.5142	2.5142	5.3139
H7	1.0932	2.1562	2.6408	3.9023	4.5741	1.7731		1.7731	3.0805	2.5221	4.5041
H8	1.0932	2.1562	2.6408	3.9023	4.5741	1.7731	1.7731		2.5221	3.0805	4.5041
H9	2.1734	1.0946	2.0695	2.6046	2.6240	2.5142	3.0805	2.5221		1.7644	3.6067
H10	2.1734	1.0946	2.0695	2.6046	2.6240	2.5142	2.5221	3.0805	1.7644		3.6067
H11	4.3637	3.2892	1.9885	1.1011	2.0444	5.3139	4.5041	4.5041	3.6067	3.6067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.470	C1	C2	H9	112.236
C1	C2	H10	112.236	C2	C1	H6	109.824
C2	C1	H7	110.930	C2	C1	H8	110.930
C2	O3	C4	115.228	O3	C2	H9	108.698
O3	C2	H10	108.698	O3	C4	O5	125.900
O3	C4	H11	109.124	O5	C4	H11	124.976
H6	C1	H7	108.344	H6	C1	H8	108.344
H7	C1	H8	108.387	H9	C2	H10	107.411

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

using model chemistry: HSEh1PBE/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	-0.415
2	C	-0.012
3	O	-0.431
4	C	0.431
5	O	-0.435
6	H	0.141
7	H	0.150
8	H	0.150
9	H	0.150
10	H	0.150
11	H	0.121

	x	y	z	Total
	-1.991	0.540	0.000	2.063
CHELPG
AIM
ESP

	x	y	z
x	6.946	0.248	0.000
y	0.248	5.636	0.000
z	0.000	0.000	4.264

<r²>	134.592
(<r²>)^1/2	11.601

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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