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	hartrees
Energy at 0K	-267.161963
Energy at 298.15K	-267.169165
HF Energy	-266.695586
Nuclear repulsion energy	175.082432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3018	40.86
2	A'	3200	2992	25.56
3	A'	3147	2944	11.27
4	A'	3123	2920	16.38
5	A'	1777	1662	273.46
6	A'	1614	1510	8.31
7	A'	1594	1491	5.00
8	A'	1524	1426	12.27
9	A'	1482	1386	11.50
10	A'	1459	1364	7.28
11	A'	1243	1163	467.64
12	A'	1196	1119	6.26
13	A'	1076	1007	10.04
14	A'	867	811	17.24
15	A'	798	746	3.00
16	A'	385	360	7.54
17	A'	222	208	9.10
18	A"	3219	3011	41.19
19	A"	3192	2985	5.11
20	A"	1582	1480	6.13
21	A"	1357	1269	0.19
22	A"	1247	1166	8.09
23	A"	1071	1001	0.50
24	A"	867	811	0.37
25	A"	330	309	38.26
26	A"	237	222	4.83
27	A"	61	57	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	-2.210	-0.260	0.000
C2	-0.728	-0.602	0.000
O3	0.000	0.683	0.000
C4	1.360	0.649	0.000
O5	2.038	-0.372	0.000
H6	-2.804	-1.179	0.000
H7	-2.468	0.324	0.886
H8	-2.468	0.324	-0.886
H9	-0.430	-1.168	-0.885
H10	-0.430	-1.168	0.885
H11	1.764	1.660	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5207	2.4028	3.6841	4.2495	1.0942	1.0922	1.0922	2.1857	2.1857	4.4129
C2	1.5207		1.4774	2.4347	2.7759	2.1545	2.1611	2.1611	1.0920	1.0920	3.3653
O3	2.4028	1.4774		1.3608	2.2951	3.3660	2.6472	2.6472	2.0960	2.0960	2.0159
C4	3.6841	2.4347	1.3608		1.2255	4.5479	3.9434	3.9434	2.6994	2.6994	1.0882
O5	4.2495	2.7759	2.2951	1.2255		4.9090	4.6451	4.6451	2.7396	2.7396	2.0503
H6	1.0942	2.1545	3.3660	4.5479	4.9090		1.7762	1.7762	2.5343	2.5343	5.3778
H7	1.0922	2.1611	2.6472	3.9434	4.6451	1.7762		1.7728	3.0852	2.5258	4.5255
H8	1.0922	2.1611	2.6472	3.9434	4.6451	1.7762	1.7728		2.5258	3.0852	4.5255
H9	2.1857	1.0920	2.0960	2.6994	2.7396	2.5343	3.0852	2.5258		1.7704	3.6859
H10	2.1857	1.0920	2.0960	2.6994	2.7396	2.5343	2.5258	3.0852	1.7704		3.6859
H11	4.4129	3.3653	2.0159	1.0882	2.0503	5.3778	4.5255	4.5255	3.6859	3.6859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.526	C1	C2	H9	112.527
C1	C2	H10	112.527	C2	C1	H6	109.886
C2	C1	H7	110.533	C2	C1	H8	110.533
C2	O3	C4	118.091	O3	C2	H9	108.393
O3	C2	H10	108.393	O3	C4	O5	125.020
O3	C4	H11	110.305	O5	C4	H11	124.675
H6	C1	H7	108.666	H6	C1	H8	108.666
H7	C1	H8	108.504	H9	C2	H10	108.318

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)