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	hartrees
Energy at 0K	-268.143846
Energy at 298.15K	-268.151019
HF Energy	-267.875350
Nuclear repulsion energy	177.021915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3013	21.12
2	A'	3120	2967	46.21
3	A'	3109	2957	18.50
4	A'	3088	2937	16.30
5	A'	1778	1691	339.29
6	A'	1542	1467	7.40
7	A'	1526	1451	3.30
8	A'	1453	1382	17.82
9	A'	1413	1344	1.32
10	A'	1408	1339	5.86
11	A'	1224	1164	413.89
12	A'	1148	1092	8.26
13	A'	1043	992	19.85
14	A'	860	818	15.77
15	A'	784	745	1.42
16	A'	382	363	5.28
17	A'	225	214	7.96
18	A"	3183	3027	34.37
19	A"	3157	3002	2.58
20	A"	1513	1439	7.40
21	A"	1310	1246	1.17
22	A"	1195	1137	4.55
23	A"	1038	988	0.00
24	A"	822	782	0.34
25	A"	348	331	23.94
26	A"	238	226	2.63
27	A"	61	58	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.184	-0.267	0.000
C2	-0.703	-0.572	0.000
O3	0.000	0.700	0.000
C4	1.341	0.629	0.000
O5	1.999	-0.390	0.000
H6	-2.749	-1.201	0.000
H7	-2.464	0.305	0.886
H8	-2.464	0.305	-0.886
H9	-0.396	-1.134	-0.883
H10	-0.396	-1.134	0.883
H11	1.758	1.642	0.000

	C1	C2	O3	C4	O5	H6	H7	H8	H9	H10	H11
C1		1.5123	2.3890	3.6377	4.1848	1.0918	1.0906	1.0906	2.1746	2.1746	4.3806
C2	1.5123		1.4537	2.3712	2.7079	2.1406	2.1570	2.1570	1.0908	1.0908	3.3108
O3	2.3890	1.4537		1.3432	2.2768	3.3428	2.6478	2.6478	2.0740	2.0740	1.9947
C4	3.6377	2.3712	1.3432		1.2131	4.4814	3.9202	3.9202	2.6283	2.6283	1.0954
O5	4.1848	2.7079	2.2768	1.2131		4.8165	4.6022	4.6022	2.6587	2.6587	2.0466
H6	1.0918	2.1406	3.3428	4.4814	4.8165		1.7704	1.7704	2.5141	2.5141	5.3294
H7	1.0906	2.1570	2.6478	3.9202	4.6022	1.7704		1.7713	3.0779	2.5188	4.5165
H8	1.0906	2.1570	2.6478	3.9202	4.6022	1.7704	1.7713		2.5188	3.0779	4.5165
H9	2.1746	1.0908	2.0740	2.6283	2.6587	2.5141	3.0779	2.5188		1.7663	3.6234
H10	2.1746	1.0908	2.0740	2.6283	2.6587	2.5141	2.5188	3.0779	1.7663		3.6234
H11	4.3806	3.3108	1.9947	1.0954	2.0466	5.3294	4.5165	4.5165	3.6234	3.6234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.291	C1	C2	H9	112.301
C1	C2	H10	112.301	C2	C1	H6	109.514
C2	C1	H7	110.895	C2	C1	H8	110.895
C2	O3	C4	115.892	O3	C2	H9	108.347
O3	C2	H10	108.347	O3	C4	O5	125.848
O3	C4	H11	109.345	O5	C4	H11	124.808
H6	C1	H7	108.432	H6	C1	H8	108.432
H7	C1	H8	108.602	H9	C2	H10	108.116

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

using model chemistry: B2PLYP=FULL/6-31+G**

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/6-31+G**

States and conformations

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