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	hartrees
Energy at 0K	-268.136267
Energy at 298.15K	-268.143463
HF Energy	-267.873044
Nuclear repulsion energy	177.219150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3028	19.14
2	A'	3084	2956	10.37
3	A'	3073	2945	15.38
4	A'	3069	2942	75.83
5	A'	1805	1731	274.05
6	A'	1511	1448	6.63
7	A'	1490	1429	1.99
8	A'	1427	1368	16.38
9	A'	1394	1336	0.91
10	A'	1385	1328	3.55
11	A'	1221	1170	400.93
12	A'	1140	1092	10.49
13	A'	1049	1005	19.19
14	A'	866	830	12.62
15	A'	790	757	2.43
16	A'	382	366	6.03
17	A'	230	221	6.21
18	A"	3167	3035	30.85
19	A"	3132	3002	10.28
20	A"	1475	1414	5.86
21	A"	1295	1241	1.18
22	A"	1181	1132	4.63
23	A"	1039	996	0.15
24	A"	813	780	0.69
25	A"	350	336	18.69
26	A"	243	233	2.15
27	A"	61	59	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-2.178	-0.262	0.000
C2	-0.695	-0.564	0.000
O3	0.000	0.706	0.000
C4	1.341	0.620	0.000
O5	1.984	-0.402	0.000
H6	-2.751	-1.201	0.000
H7	-2.459	0.317	0.892
H8	-2.459	0.317	-0.892
H9	-0.387	-1.137	-0.888
H10	-0.387	-1.137	0.888
H11	1.763	1.643	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5133	2.3836	3.6278	4.1647	1.1001	1.0996	1.0996	2.1822	2.1822	4.3774
C2	1.5133		1.4485	2.3556	2.6845	2.1516	2.1636	2.1636	1.1004	1.1004	3.3041
O3	2.3836	1.4485		1.3438	2.2730	3.3473	2.6442	2.6442	2.0821	2.0821	1.9965
C4	3.6278	2.3556	1.3438		1.2077	4.4785	3.9146	3.9146	2.6190	2.6190	1.1071
O5	4.1647	2.6845	2.2730	1.2077		4.8017	4.5883	4.5883	2.6363	2.6363	2.0576
H6	1.1001	2.1516	3.3473	4.4785	4.8017		1.7848	1.7848	2.5256	2.5256	5.3351
H7	1.0996	2.1636	2.6442	3.9146	4.5883	1.7848		1.7837	3.0939	2.5309	4.5141
H8	1.0996	2.1636	2.6442	3.9146	4.5883	1.7848	1.7837		2.5309	3.0939	4.5141
H9	2.1822	1.1004	2.0821	2.6190	2.6363	2.5256	3.0939	2.5309		1.7753	3.6248
H10	2.1822	1.1004	2.0821	2.6190	2.6363	2.5256	2.5309	3.0939	1.7753		3.6248
H11	4.3774	3.3041	1.9965	1.1071	2.0576	5.3351	4.5141	4.5141	3.6248	3.6248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.156	C1	C2	H9	112.250
C1	C2	H10	112.250	C2	C1	H6	109.824
C2	C1	H7	110.806	C2	C1	H8	110.806
C2	O3	C4	114.992	O3	C2	H9	108.776
O3	C2	H10	108.776	O3	C4	O5	125.879
O3	C4	H11	108.711	O5	C4	H11	125.410
H6	C1	H7	108.463	H6	C1	H8	108.463
H7	C1	H8	108.407	H9	C2	H10	107.545

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

using model chemistry: B2PLYP=FULL/cc-pVDZ

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: B2PLYP=FULL/cc-pVDZ

States and conformations

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