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	hartrees
Energy at 0K	-267.474938
Energy at 298.15K	-267.482292
HF Energy	-266.828618
Nuclear repulsion energy	178.634696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3009	22.45
2	A'	3222	2976	57.27
3	A'	3203	2958	15.97
4	A'	3177	2934	14.05
5	A'	1938	1790	333.27
6	A'	1619	1495	6.28
7	A'	1594	1473	2.69
8	A'	1530	1413	18.98
9	A'	1494	1380	3.39
10	A'	1483	1370	1.83
11	A'	1332	1230	470.76
12	A'	1207	1115	12.49
13	A'	1108	1024	16.65
14	A'	924	854	13.53
15	A'	834	770	4.86
16	A'	402	371	6.96
17	A'	241	223	8.45
18	A"	3271	3022	39.48
19	A"	3248	3000	2.92
20	A"	1582	1462	5.54
21	A"	1375	1270	0.95
22	A"	1258	1162	5.68
23	A"	1120	1034	1.68
24	A"	857	792	0.24
25	A"	355	328	26.70
26	A"	254	234	3.62
27	A"	76	71	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	-2.168	-0.268	0.000
C2	-0.689	-0.570	0.000
O3	0.000	0.690	0.000
C4	1.326	0.626	0.000
O5	1.978	-0.378	0.000
H6	-2.735	-1.197	0.000
H7	-2.442	0.305	0.883
H8	-2.442	0.305	-0.883
H9	-0.387	-1.134	-0.879
H10	-0.387	-1.134	0.879
H11	1.746	1.633	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5091	2.3700	3.6065	4.1474	1.0886	1.0875	1.0875	2.1661	2.1661	4.3509
C2	1.5091		1.4358	2.3431	2.6741	2.1403	2.1490	2.1490	1.0871	1.0871	3.2834
O3	2.3700	1.4358		1.3280	2.2485	3.3231	2.6255	2.6255	2.0615	2.0615	1.9843
C4	3.6065	2.3431	1.3280		1.1971	4.4518	3.8841	3.8841	2.6085	2.6085	1.0915
O5	4.1474	2.6741	2.2485	1.1971		4.7840	4.5595	4.5595	2.6341	2.6341	2.0252
H6	1.0886	2.1403	3.3231	4.4518	4.7840		1.7663	1.7663	2.5079	2.5079	5.3000
H7	1.0875	2.1490	2.6255	3.8841	4.5595	1.7663		1.7651	3.0653	2.5088	4.4817
H8	1.0875	2.1490	2.6255	3.8841	4.5595	1.7663	1.7651		2.5088	3.0653	4.4817
H9	2.1661	1.0871	2.0615	2.6085	2.6341	2.5079	3.0653	2.5088		1.7576	3.6027
H10	2.1661	1.0871	2.0615	2.6085	2.6341	2.5079	2.5088	3.0653	1.7576		3.6027
H11	4.3509	3.2834	1.9843	1.0915	2.0252	5.3000	4.4817	4.4817	3.6027	3.6027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.147	C1	C2	H9	112.066
C1	C2	H10	112.066	C2	C1	H6	109.903
C2	C1	H7	110.666	C2	C1	H8	110.666
C2	O3	C4	115.881	O3	C2	H9	108.802
O3	C2	H10	108.802	O3	C4	O5	125.783
O3	C4	H11	109.806	O5	C4	H11	124.411
H6	C1	H7	108.525	H6	C1	H8	108.525
H7	C1	H8	108.495	H9	C2	H10	107.877

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

using model chemistry: CID/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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All results from a given calculation for HCOOC2H5 (Ethyl formate)

using model chemistry: CID/6-31G*

States and conformations

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