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	hartrees
Energy at 0K	-265.862920
Energy at 298.15K	-265.870027
HF Energy	-265.332986
Nuclear repulsion energy	174.241172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3013	16.14
2	A'	3115	2953	57.10
3	A'	3113	2952	18.83
4	A'	3104	2943	10.12
5	A'	1672	1585	141.81
6	A'	1614	1530	16.51
7	A'	1602	1519	5.36
8	A'	1498	1420	8.02
9	A'	1441	1366	12.96
10	A'	1437	1362	12.01
11	A'	1171	1110	216.68
12	A'	1157	1096	172.53
13	A'	1025	971	6.36
14	A'	838	795	8.69
15	A'	779	739	4.01
16	A'	368	349	7.48
17	A'	218	207	6.53
18	A"	3194	3028	25.17
19	A"	3157	2993	11.69
20	A"	1591	1509	5.35
21	A"	1342	1272	0.01
22	A"	1222	1159	5.67
23	A"	1051	997	0.09
24	A"	862	817	1.06
25	A"	336	318	24.61
26	A"	242	230	3.22
27	A"	41	39	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.209	-0.225	0.000
C2	-0.722	-0.587	0.000
O3	0.000	0.725	0.000
C4	1.380	0.620	0.000
O5	2.010	-0.445	0.000
H6	-2.819	-1.133	0.000
H7	-2.446	0.366	0.888
H8	-2.446	0.366	-0.888
H9	-0.431	-1.157	-0.887
H10	-0.431	-1.157	0.887
H11	1.805	1.626	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5304	2.4045	3.6868	4.2243	1.0945	1.0925	1.0925	2.1945	2.1945	4.4204
C2	1.5304		1.4979	2.4238	2.7354	2.1667	2.1604	2.1604	1.0934	1.0934	3.3596
O3	2.4045	1.4979		1.3838	2.3254	3.3764	2.6265	2.6265	2.1247	2.1247	2.0176
C4	3.6868	2.4238	1.3838		1.2370	4.5500	3.9353	3.9353	2.6875	2.6875	1.0928
O5	4.2243	2.7354	2.3254	1.2370		4.8772	4.6146	4.6146	2.6927	2.6927	2.0813
H6	1.0945	2.1667	3.3764	4.5500	4.8772		1.7824	1.7824	2.5470	2.5470	5.3850
H7	1.0925	2.1604	2.6265	3.9353	4.6146	1.7824		1.7763	3.0865	2.5252	4.5217
H8	1.0925	2.1604	2.6265	3.9353	4.6146	1.7824	1.7763		2.5252	3.0865	4.5217
H9	2.1945	1.0934	2.1247	2.6875	2.6927	2.5470	3.0865	2.5252		1.7733	3.6789
H10	2.1945	1.0934	2.1247	2.6875	2.6927	2.5470	2.5252	3.0865	1.7733		3.6789
H11	4.4204	3.3596	2.0176	1.0928	2.0813	5.3850	4.5217	4.5217	3.6789	3.6789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.123	C1	C2	H9	112.453
C1	C2	H10	112.453	C2	C1	H6	110.155
C2	C1	H7	109.779	C2	C1	H8	109.779
C2	O3	C4	114.456	O3	C2	H9	109.165
O3	C2	H10	109.165	O3	C4	O5	124.975
O3	C4	H11	108.537	O5	C4	H11	126.488
H6	C1	H7	109.168	H6	C1	H8	109.168
H7	C1	H8	108.766	H9	C2	H10	108.376

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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